1-Phenyl-3-hydroxy-1,2,4-triazole

C₈H₇N₃OCAS 4231-68-9161.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇N₃O
Molar mass: 161.16 g/mol
Exact mass: 161.0589 Da
Melting point: 281–282 °C
logP: 0.97Crippen estimate
Polar surface area: 50.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

4231-68-9

SMILES

Oc1ncn(-c2ccccc2)n1

InChIKey

QCDMYEHBRNFUQG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7N3O/c12-8-9-6-11(10-8)7-4-2-1-3-5-7/h1-6H,(H,10,12)

Weigh it out

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

Names and synonyms

11 names

3H-1,2,4-Triazol-3-one, 1,2-dihydro-1-phenyl-
δ3-1,2,4-Triazolin-5-one, 2-phenyl-
1H-1,2,4-Triazol-3-ol, 1-phenyl-
1,2-Dihydro-1-phenyl-3H-1,2,4-triazol-3-one
1-Phenyl-1,2,4-triazol-3-ol
1-Phenyl-1,2,4-triazole-3-ol
3-Hydroxy-1-phenyl-1,2,4-triazole
3-Hydroxy-1-phenyl-1H-1,2,4-triazole
1-Phenyl-1H-1,2,4-triazol-3-ol
2-Phenyl-1H-1,2,4-triazol-5-one
3-Hydroxy-1-phenyl-1,2,4-1H-triazole

Work with 1-Phenyl-3-hydroxy-1,2,4-triazole

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

Triazofos24017-47-839 % similar 3-Methyl-1-phenyl-1H-pyrazole1128-54-738 % similar 1-Phenylpyrazole1126-00-738 % similar 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-138 % similar (1-Phenyl-1H-1,2,3-triazol-4-yl)methanol103755-58-434 % similar 1,5-Dihydro-1-phenyl-4H-pyrazolo[3,4-D]pyrimidin-4-one21314-17-034 % similar 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-532 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-532 % 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 4-(1,2,4-Triazol-1-yl)phenol68337-15-5

Elsewhere

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