(1-Phenyl-1H-1,2,3-triazol-4-yl)methanol

C9H9N3OCAS 103755-58-4175.19 g/mol

Open in Covalent MOL file
NNNOH
Alcohol

Properties

Molecular formula
C9H9N3O
Molar mass
175.19 g/mol
Exact mass
175.0746 Da
logP
0.76Crippen estimate
Polar surface area
50.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
103755-58-4
SMILES
C1=CC=C(C=C1)N2C=C(N=N2)CO
InChIKey
UBFOXHGJGFQOFV-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N3O/c13-7-8-6-12(11-10-8)9-4-2-1-3-5-9/h1-6,13H,7H2

Weigh it out

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

Work with (1-Phenyl-1H-1,2,3-triazol-4-yl)methanol

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

[1-(Triphenylmethyl)-1H-imidazol-4-yl]methanol33769-07-239 % similar 2-Pyridinemethanol586-98-138 % similar 2,6-Pyridinedimethanol1195-59-138 % similar Pyridazin-3-ylmethanol37444-46-537 % similar Benzyl alcohol100-51-635 % similar 2-Phenyl-2H-indazole3682-71-135 % similar (4-Pyrazol-1-ylphenyl)methanol143426-49-735 % similar 1-Phenylpyrazole1126-00-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-3-amino-4-quinazolone1898-06-2 5-Benzyl-1,3,4-oxadiazol-2-ylamine31803-00-6 3-Amino-1-phenyl-2-pyrazolin-5-one4149-06-8

Elsewhere

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