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

C₄H₇N₃OCAS 135242-93-2113.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₇N₃O
Molar mass: 113.12 g/mol
Exact mass: 113.0589 Da
logP: -0.69Crippen estimate
Polar surface area: 50.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

135242-93-2

SMILES

CN1C=NC(=N1)CO

InChIKey

WEDYTSQNYJKOPC-UHFFFAOYSA-N

InChI

InChI=1S/C4H7N3O/c1-7-3-5-4(2-8)6-7/h3,8H,2H2,1H3

Weigh it out

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Names and synonyms

1 names

(1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol

Work with (1-Methyl-1H-1,2,4-triazol-3-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

3-(Chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride135206-76-753 % similar 3-Bromo-1-methyl-1,2,4-triazole56616-91-243 % similar (1-Methyl-1H-pyrazol-4-yl)methanol112029-98-839 % similar 2-Pyrimidinemethanol42839-09-838 % similar (1-Methyl-1H-imidazol-2-yl)methanol17334-08-635 % similar (1,5-Dimethyl-1H-pyrazol-3-yl)methanol153912-60-833 % similar (1,3-Dimethyl-1H-pyrazol-5-yl)methanol57012-20-133 % similar 1-Methyl-1H-pyrazole-5-methanol84547-61-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Creatinine60-27-5

Elsewhere

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