1-Methyl-1,2,4-triazole

C₃H₅N₃CAS 6086-21-183.09 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

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.6% of notifiers

Aggregated from 45 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

6086-21-1

SMILES

CN1C=NC=N1

InChIKey

MWZDIEIXRBWPLG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1H-1,2,4-Triazole, 1-methyl-

Work with 1-Methyl-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

1-Trimethylsilyl-1,2,4-triazole18293-54-440 % similar 1,4-Dimethylpyrazole1072-68-035 % similar Bis(1H-1,2,4-triazol-1-yl)methanone41864-22-635 % similar 4-Bromo-1-methyl-1H-pyrazole15803-02-833 % similar 1-Methyl-1H-tetrazole16681-77-933 % similar 1-Methyl-4-iodo-1H-pyrazole39806-90-133 % similar 1-Methyl-1H-pyrazol-4-ylamine69843-13-633 % similar 1-Methyl-1H-pyrazole930-36-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-1,2,3-triazole16681-65-5 Pyrazol-3-ylamine1820-80-0 1H-Pyrazol-4-amine28466-26-4 1H-Pyrazol-1-ylmethanol7170-01-6 2-Aminoimidazole7720-39-0

Elsewhere

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