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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (390)
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1

Thermo Scientific Chemicals Thiazolyl Blue tetrazolium bromide, 98%

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 64965
CAS 298-93-1
Molecular Weight (g/mol) 414.33
ChEBI CHEBI:53233
MDL Number MFCD00011964,MFCD00066662
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
IUPAC Name 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2

1-n-Butyl-3-methylimidazolium bromide, 99%

CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]

EDGE
PubChem CID 2734236
CAS 85100-77-2
Molecular Weight (g/mol) 219.126
MDL Number MFCD03427611
SMILES CCCCN1C=C[N+](=C1)C.[Br-]
Synonym 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide
IUPAC Name 1-butyl-3-methylimidazol-3-ium;bromide
InChI Key KYCQOKLOSUBEJK-UHFFFAOYSA-M
Molecular Formula C8H15BrN2
3

1,1'-Carbonyldiimidazole, 97%

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 SMILES: O=C(N1C=CN=C1)N1C=CN=C1

PubChem CID 68263
CAS 530-62-1
Molecular Weight (g/mol) 162.15
MDL Number MFCD00005286
SMILES O=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
InChI Key PFKFTWBEEFSNDU-UHFFFAOYSA-N
Molecular Formula C7H6N4O
4

4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole, 99+%, Thermo Scientific Chemicals

CAS: 1750-12-5 Molecular Formula: C2H6N6S Molecular Weight (g/mol): 146.172 MDL Number: MFCD00003098 InChI Key: RDIMQHBOTMWMJA-UHFFFAOYSA-N Synonym: 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol PubChem CID: 2723946 IUPAC Name: 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione SMILES: C1(=S)NN=C(N1N)NN

PubChem CID 2723946
CAS 1750-12-5
Molecular Weight (g/mol) 146.172
MDL Number MFCD00003098
SMILES C1(=S)NN=C(N1N)NN
Synonym 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol
IUPAC Name 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione
InChI Key RDIMQHBOTMWMJA-UHFFFAOYSA-N
Molecular Formula C2H6N6S
5

1-Ethyl-3-methylimidazolium bromide, 98+%

CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;bromide SMILES: [Br-].CCN1C=C[N+](C)=C1

PubChem CID 2734235
CAS 65039-08-9
Molecular Weight (g/mol) 191.07
MDL Number MFCD03427610
SMILES [Br-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;bromide
InChI Key GWQYPLXGJIXMMV-UHFFFAOYSA-M
Molecular Formula C6H11BrN2
6

1-Vinylimidazole, 99%

CAS: 1072-63-5 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00005297 InChI Key: OSSNTDFYBPYIEC-UHFFFAOYSA-N Synonym: 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer PubChem CID: 66171 SMILES: C=CN1C=CN=C1

PubChem CID 66171
CAS 1072-63-5
Molecular Weight (g/mol) 94.12
MDL Number MFCD00005297
SMILES C=CN1C=CN=C1
Synonym 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer
InChI Key OSSNTDFYBPYIEC-UHFFFAOYSA-N
Molecular Formula C5H6N2
7

3-Amino-5-phenyl-1,2,4-thiadiazole, 96%

CAS: 27182-54-3 Molecular Formula: C8H7N3S Molecular Weight (g/mol): 177.225 MDL Number: MFCD00159799 InChI Key: WOZDQVLZCXNJPY-UHFFFAOYSA-N Synonym: 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,# PubChem CID: 554203 IUPAC Name: 5-phenyl-1,2,4-thiadiazol-3-amine SMILES: C1=CC=C(C=C1)C2=NC(=NS2)N

PubChem CID 554203
CAS 27182-54-3
Molecular Weight (g/mol) 177.225
MDL Number MFCD00159799
SMILES C1=CC=C(C=C1)C2=NC(=NS2)N
Synonym 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,#
IUPAC Name 5-phenyl-1,2,4-thiadiazol-3-amine
InChI Key WOZDQVLZCXNJPY-UHFFFAOYSA-N
Molecular Formula C8H7N3S
8

3-Amino-1H-1,2,4-triazole, 96%

CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1

PubChem CID 1639
CAS 61-82-5
Molecular Weight (g/mol) 84.08
ChEBI CHEBI:40036
MDL Number MFCD00005230,MFCD00053362
SMILES NC1=NC=NN1
Synonym 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
IUPAC Name 1H-1,2,4-triazol-5-amine
InChI Key KLSJWNVTNUYHDU-UHFFFAOYSA-N
Molecular Formula C2H4N4
9

2-Phenylbenzoxazole, 99%

CAS: 833-50-1 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 MDL Number: MFCD00012183 InChI Key: FIISKTXZUZBTRC-UHFFFAOYSA-N Synonym: 2-phenylbenzoxazole,2-phenylbenzo d oxazole,benzoxazole, 2-phenyl,ccris 7874,phenyl-2 benzoxazole french,2-phenyl-benzoxazole,phenyl-2 benzoxazole,2-phenybenzoxazole,2-phenyl benzoxazole,2-phenyl-benzooxazole PubChem CID: 70030 IUPAC Name: 2-phenyl-1,3-benzoxazole SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

PubChem CID 70030
CAS 833-50-1
Molecular Weight (g/mol) 195.221
MDL Number MFCD00012183
SMILES C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
Synonym 2-phenylbenzoxazole,2-phenylbenzo d oxazole,benzoxazole, 2-phenyl,ccris 7874,phenyl-2 benzoxazole french,2-phenyl-benzoxazole,phenyl-2 benzoxazole,2-phenybenzoxazole,2-phenyl benzoxazole,2-phenyl-benzooxazole
IUPAC Name 2-phenyl-1,3-benzoxazole
InChI Key FIISKTXZUZBTRC-UHFFFAOYSA-N
Molecular Formula C13H9NO
10

1,2-Dimethylimidazole, 98%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

PubChem CID 15617
CAS 1739-84-0
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005294
SMILES CN1C=CN=C1C
Synonym 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name 1,2-dimethylimidazole
InChI Key GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula C5H8N2
11

Imidazole-4-carboxaldehyde, 97%

CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O

PubChem CID 76428
CAS 3034-50-2
Molecular Weight (g/mol) 96.089
MDL Number MFCD00173726
SMILES C1=C(NC=N1)C=O
Synonym 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde
IUPAC Name 1H-imidazole-5-carbaldehyde
InChI Key ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Molecular Formula C4H4N2O
12

2-Methyl-4(5)-nitroimidazole, 99%

CAS: 696-23-1 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00005191 InChI Key: FFYTTYVSDVWNMY-UHFFFAOYSA-N Synonym: 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro PubChem CID: 12760 IUPAC Name: 2-methyl-5-nitro-1H-imidazole SMILES: CC1=NC=C(N1)[N+]([O-])=O

PubChem CID 12760
CAS 696-23-1
Molecular Weight (g/mol) 127.10
MDL Number MFCD00005191
SMILES CC1=NC=C(N1)[N+]([O-])=O
Synonym 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro
IUPAC Name 2-methyl-5-nitro-1H-imidazole
InChI Key FFYTTYVSDVWNMY-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
13

Metronidazole, 99%

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

PubChem CID 4173
CAS 443-48-1
Molecular Weight (g/mol) 171.156
ChEBI CHEBI:6909
MDL Number MFCD00009750
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3
14

3-Hydroxy-5-methylisoxazole, 97%

CAS: 10004-44-1 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.089 MDL Number: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Synonym: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1

PubChem CID 24781
CAS 10004-44-1
Molecular Weight (g/mol) 99.089
ChEBI CHEBI:5827
MDL Number MFCD00144468
SMILES CC1=CC(=O)NO1
Synonym hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone
IUPAC Name 5-methyl-1,2-oxazol-3-one
InChI Key KGVPNLBXJKTABS-UHFFFAOYSA-N
Molecular Formula C4H5NO2
15
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1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2