4-(1,2,4-Triazol-1-yl)phenol

C8H7N3OCAS 68337-15-5161.16 g/mol

Open in Covalent MOL file
HONNN
Phenol

Properties

Molecular formula
C8H7N3O
Molar mass
161.16 g/mol
Exact mass
161.0589 Da
Melting point
216–220 °C
logP
0.97Crippen estimate
Polar surface area
50.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
68337-15-5
SMILES
Oc1ccc(-n2cncn2)cc1
InChIKey
ZOPIBCDDKMAEII-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N3O/c12-8-3-1-7(2-4-8)11-6-9-5-10-11/h1-6,12H

Weigh it out

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Names and synonyms

4 names
  • Phenol, 4-(1H-1,2,4-triazol-1-yl)-
  • 4-(1H-1,2,4-Triazol-1-yl)phenol
  • 1-(4-Hydroxyphenyl)-1H-1,2,4-triazole
  • 4-(5-Methyl-1H-1,2,4-triazol-1-yl)phenol

Work with 4-(1,2,4-Triazol-1-yl)phenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(1,2,4-Triazol-1-yl)aniline6523-49-560 % similar 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde27996-86-755 % similar Fluconazole impurity C514222-44-753 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-845 % similar 3-(1H-1,2,4-Triazol-1-yl)benzoic acid167626-64-441 % similar Hydroquinone123-31-938 % similar 1,2-Dihydro-1-(4-hydroxyphenyl)-5H-tetrazole-5-thione52431-78-434 % similar 4,4′-Dihydroxybiphenyl92-88-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-phenyl-1,3,4-oxadiazole1612-76-6 1-Cyano-3-phenylurea41834-91-7 1-Phenyl-3-hydroxy-1,2,4-triazole4231-68-9

Elsewhere

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