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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 (2,073)
Thiazoles (1,143)
Pyrazoles (905)
Triazoles (506)
Oxazoles (308)
Isoxazoles (233)
Oxadiazoles (149)
Thiadiazoles (69)
Dithiazoles (4)

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61 – 75 of 4,156 results
61

Ornidazole, 99%

CAS: 16773-42-5 Molecular Formula: C7H10ClN3O3 Molecular Weight (g/mol): 219.625 MDL Number: MFCD00057960 InChI Key: IPWKIXLWTCNBKN-UHFFFAOYSA-N Synonym: ornidazole,madelen,tiberal,ornidazolum,1-3-chloro-2-hydroxypropyl-2-methyl-5-nitroimidazole,ornidazol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl propan-2-ol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl-2-propanol,ornidal,1-2-hydroxy-3-chloropropyl-2-methyl-5-nitroimidazole PubChem CID: 28061 ChEBI: CHEBI:75176 IUPAC Name: 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol SMILES: CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]

PubChem CID 28061
CAS 16773-42-5
Molecular Weight (g/mol) 219.625
ChEBI CHEBI:75176
MDL Number MFCD00057960
SMILES CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
Synonym ornidazole,madelen,tiberal,ornidazolum,1-3-chloro-2-hydroxypropyl-2-methyl-5-nitroimidazole,ornidazol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl propan-2-ol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl-2-propanol,ornidal,1-2-hydroxy-3-chloropropyl-2-methyl-5-nitroimidazole
IUPAC Name 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
InChI Key IPWKIXLWTCNBKN-UHFFFAOYSA-N
Molecular Formula C7H10ClN3O3
62

5-Nitro-1H-indazole, 98+%

CAS: 5401-94-5 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00005693 InChI Key: WSGURAYTCUVDQL-UHFFFAOYSA-N Synonym: 5-nitroindazole,1h-indazole, 5-nitro,unii-235y7p37zd,ccris 4134,2h-indazole, 5-nitro,5ni,5-nitroindazol,5-nitro indazole,5-nitro-indazole,5-nitro-1h-indazol PubChem CID: 21501 IUPAC Name: 5-nitro-1H-indazole SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=NN2

PubChem CID 21501
CAS 5401-94-5
Molecular Weight (g/mol) 163.136
MDL Number MFCD00005693
SMILES C1=CC2=C(C=C1[N+](=O)[O-])C=NN2
Synonym 5-nitroindazole,1h-indazole, 5-nitro,unii-235y7p37zd,ccris 4134,2h-indazole, 5-nitro,5ni,5-nitroindazol,5-nitro indazole,5-nitro-indazole,5-nitro-1h-indazol
IUPAC Name 5-nitro-1H-indazole
InChI Key WSGURAYTCUVDQL-UHFFFAOYSA-N
Molecular Formula C7H5N3O2
63

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
64

1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate 98.0+%, TCI America™
SDP

CAS: 56602-33-6 Molecular Formula: C12H22F6N6OP2 Molecular Weight (g/mol): 442.287 MDL Number: MFCD00011948 InChI Key: MGEVGECQZUIPSV-UHFFFAOYSA-N Synonym: bop reagent,1h-benzo d 1,2,3 triazol-1-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,castro's reagent,bop-reagent,benzotriazol-1-yloxytris dimethylamino-phosphonium hexafluorophosphate,ccris 2602,castros reagent,tri dimethylamino benzotriazol-1-yloxyphosphonium hexafluorophosphate,benzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate PubChem CID: 151348 IUPAC Name: benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphate SMILES: CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F

PubChem CID 151348
CAS 56602-33-6
Molecular Weight (g/mol) 442.287
MDL Number MFCD00011948
SMILES CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F
Synonym bop reagent,1h-benzo d 1,2,3 triazol-1-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,castro's reagent,bop-reagent,benzotriazol-1-yloxytris dimethylamino-phosphonium hexafluorophosphate,ccris 2602,castros reagent,tri dimethylamino benzotriazol-1-yloxyphosphonium hexafluorophosphate,benzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate
IUPAC Name benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphate
InChI Key MGEVGECQZUIPSV-UHFFFAOYSA-N
Molecular Formula C12H22F6N6OP2
65

5-Methyl-1H-benzotriazole, 98+%

CAS: 136-85-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005702 InChI Key: LRUDIIUSNGCQKF-UHFFFAOYSA-N Synonym: 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1 PubChem CID: 8705 ChEBI: CHEBI:83455 IUPAC Name: 5-methyl-2H-benzotriazole SMILES: CC1=CC2=NNN=C2C=C1

PubChem CID 8705
CAS 136-85-6
Molecular Weight (g/mol) 133.15
ChEBI CHEBI:83455
MDL Number MFCD00005702
SMILES CC1=CC2=NNN=C2C=C1
Synonym 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1
IUPAC Name 5-methyl-2H-benzotriazole
InChI Key LRUDIIUSNGCQKF-UHFFFAOYSA-N
Molecular Formula C7H7N3
66

1,1'-Carbonyldiimidazole 97.0+%, TCI America™
SDP

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 IUPAC Name: 1-(1H-imidazole-1-carbonyl)-1H-imidazole 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
IUPAC Name 1-(1H-imidazole-1-carbonyl)-1H-imidazole
InChI Key PFKFTWBEEFSNDU-UHFFFAOYSA-N
Molecular Formula C7H6N4O
67

1-Methyl-3-n-propylimidazolium iodide, 98%

CAS: 119171-18-5 Molecular Formula: C7H13IN2 Molecular Weight (g/mol): 252.10 MDL Number: MFCD08276385 InChI Key: IVCMUVGRRDWTDK-UHFFFAOYSA-M Synonym: 1-methyl-3-propylimidazolium iodide,1-propyl-3-methylimidazolium iodide,1-methyl-3-n-propylimidazolium iodide,1-methyl-3-propylimidazol-1-ium iodide,acmc-1c1fw,dsstox_cid_29063,dsstox_rid_83282,dsstox_gsid_49207,ksc491c6t,1-methyl-3-propylimidazoliumiodide PubChem CID: 12971008 IUPAC Name: 1-methyl-3-propylimidazol-1-ium;iodide SMILES: [I-].CCCN1C=C[N+](C)=C1

PubChem CID 12971008
CAS 119171-18-5
Molecular Weight (g/mol) 252.10
MDL Number MFCD08276385
SMILES [I-].CCCN1C=C[N+](C)=C1
Synonym 1-methyl-3-propylimidazolium iodide,1-propyl-3-methylimidazolium iodide,1-methyl-3-n-propylimidazolium iodide,1-methyl-3-propylimidazol-1-ium iodide,acmc-1c1fw,dsstox_cid_29063,dsstox_rid_83282,dsstox_gsid_49207,ksc491c6t,1-methyl-3-propylimidazoliumiodide
IUPAC Name 1-methyl-3-propylimidazol-1-ium;iodide
InChI Key IVCMUVGRRDWTDK-UHFFFAOYSA-M
Molecular Formula C7H13IN2
68

4-Imidazoleacetic acid hydrochloride, 98%

CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1

PubChem CID 145685
CAS 3251-69-2
Molecular Weight (g/mol) 162.57
MDL Number MFCD00012698
SMILES Cl.OC(=O)CC1=CN=CN1
Synonym 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao
IUPAC Name 2-(1H-imidazol-5-yl)acetic acid;hydrochloride
InChI Key MWHLCFYPFGFBQO-UHFFFAOYSA-N
Molecular Formula C5H7ClN2O2
69

4-Aminoimidazole-5-carboxamide, 95%

CAS: 360-97-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.12 MDL Number: MFCD02181040 InChI Key: DVNYTAVYBRSTGK-UHFFFAOYSA-N Synonym: 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole PubChem CID: 9679 ChEBI: CHEBI:2030 IUPAC Name: 4-amino-1H-imidazole-5-carboxamide SMILES: NC(=O)C1=C(N)N=CN1

PubChem CID 9679
CAS 360-97-4
Molecular Weight (g/mol) 126.12
ChEBI CHEBI:2030
MDL Number MFCD02181040
SMILES NC(=O)C1=C(N)N=CN1
Synonym 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole
IUPAC Name 4-amino-1H-imidazole-5-carboxamide
InChI Key DVNYTAVYBRSTGK-UHFFFAOYSA-N
Molecular Formula C4H6N4O
70

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
71

Thermo Scientific Chemicals Febuxostat, 98%

CAS: 144060-53-7 Molecular Formula: C16H16N2O3S Molecular Weight (g/mol): 316.38 MDL Number: MFCD00871598 InChI Key: BQSJTQLCZDPROO-UHFFFAOYSA-N IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid SMILES: CC(C)COC1=CC=C(C=C1C#N)C1=NC(C)=C(S1)C(O)=O

CAS 144060-53-7
Molecular Weight (g/mol) 316.38
MDL Number MFCD00871598
SMILES CC(C)COC1=CC=C(C=C1C#N)C1=NC(C)=C(S1)C(O)=O
IUPAC Name 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI Key BQSJTQLCZDPROO-UHFFFAOYSA-N
Molecular Formula C16H16N2O3S
72

3-Bromoimidazo[1,2-b]pyridazine 98.0+%, TCI America™
SDP

CAS: 18087-73-5 Molecular Formula: C6H4BrN3 Molecular Weight (g/mol): 198.02 MDL Number: MFCD09757672 InChI Key: KJQVHOFAWISYDO-UHFFFAOYSA-N Synonym: 3-bromoimidazo 1,2-b pyridazine,imidazo 1,2-b pyridazine, 3-bromo,pubchem18744,acmc-209eh2,ksc496a9t,3-bromo-imidazo 1,2-b pyridazine,3-bromoimidazo 1,2,-b pyridazine,3-bromanylimidazo 1,2-b pyridazine,3-bromo-4-hydroimidazo 1,2-e pyridazine PubChem CID: 12872319 IUPAC Name: 3-bromoimidazo[1,2-b]pyridazine SMILES: BrC1=CN=C2C=CC=NN12

PubChem CID 12872319
CAS 18087-73-5
Molecular Weight (g/mol) 198.02
MDL Number MFCD09757672
SMILES BrC1=CN=C2C=CC=NN12
Synonym 3-bromoimidazo 1,2-b pyridazine,imidazo 1,2-b pyridazine, 3-bromo,pubchem18744,acmc-209eh2,ksc496a9t,3-bromo-imidazo 1,2-b pyridazine,3-bromoimidazo 1,2,-b pyridazine,3-bromanylimidazo 1,2-b pyridazine,3-bromo-4-hydroimidazo 1,2-e pyridazine
IUPAC Name 3-bromoimidazo[1,2-b]pyridazine
InChI Key KJQVHOFAWISYDO-UHFFFAOYSA-N
Molecular Formula C6H4BrN3
73

Imidazole-4-acetic acid monohydrochloride, 97%

CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1

PubChem CID 145685
CAS 3251-69-2
Molecular Weight (g/mol) 162.57
MDL Number MFCD00012698
SMILES Cl.OC(=O)CC1=CN=CN1
Synonym 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao
IUPAC Name 2-(1H-imidazol-5-yl)acetic acid;hydrochloride
InChI Key MWHLCFYPFGFBQO-UHFFFAOYSA-N
Molecular Formula C5H7ClN2O2
74

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
75

Sulfisoxazole, 99%, Thermo Scientific Chemicals

CAS: 127-69-5 Molecular Formula: C11H13N3O3S Molecular Weight (g/mol): 267.3 InChI Key: NHUHCSRWZMLRLA-UHFFFAOYSA-N Synonym: sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole PubChem CID: 5344 ChEBI: CHEBI:102484 IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5344
CAS 127-69-5
Molecular Weight (g/mol) 267.3
ChEBI CHEBI:102484
SMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole
IUPAC Name 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
InChI Key NHUHCSRWZMLRLA-UHFFFAOYSA-N
Molecular Formula C11H13N3O3S