1-Methyl-1,2,3-triazole

C₃H₅N₃CAS 16681-65-583.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₅N₃
Molar mass: 83.09 g/mol
Exact mass: 83.0483 Da
logP: -0.18Crippen estimate
Polar surface area: 30.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

16681-65-5

SMILES

CN1C=CN=N1

InChIKey

JWAWEQBUZOGIBZ-UHFFFAOYSA-N

InChI

InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

1-Methyl-1H-1,2,3-triazole

Work with 1-Methyl-1,2,3-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

1-Methyl-1H-pyrazole930-36-939 % similar

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

Same formula

1H-Pyrazol-3-amine1820-80-0 1H-Pyrazol-4-amine28466-26-4 3-Methyl-1,2,4-triazole7170-01-6 2-Aminoimidazole7720-39-0

Elsewhere

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