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

C₈H₇N₃OCAS 68337-15-5161.16 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

Type any one amount. The others follow from the molar mass.

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-(1H-Imidazol-1-yl)phenol10041-02-845 % similar Hydroquinone123-31-938 % similar 1,2-Dihydro-1-(4-hydroxyphenyl)-5H-tetrazole-5-thione52431-78-434 % similar 4,4'-Biphenol92-88-633 % similar 4-Bromophenol106-41-231 % similar P-Cresol106-44-530 % similar 4-Chlorophenol106-48-930 % similar Tetrakis(4-hydroxyphenyl)ethylene119301-59-630 % 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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