3,5-Dimethyl-4H-1,2,4-triazole

C₄H₇N₃CAS 7343-34-297.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₇N₃
Molar mass: 97.12 g/mol
Exact mass: 97.0640 Da
logP: 0.42Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7343-34-2

SMILES

CC1=NC(=NN1)C

InChIKey

XYYXDARQOHWBPO-UHFFFAOYSA-N

InChI

InChI=1S/C4H7N3/c1-3-5-4(2)7-6-3/h1-2H3,(H,5,6,7)

Weigh it out

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Names and synonyms

1 names

1H-1,2,4-Triazole, 3,5-dimethyl-

Work with 3,5-Dimethyl-4H-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

3-Amino-5-methyl-4H-1,2,4-triazole4923-01-750 % similar 2,4,6-Trimethyl-1,3,5-triazine823-94-937 % similar 5-Methyl-2H-tetrazole4076-36-232 % similar Acetoguanamine542-02-931 % similar 1H-Pyrazol-1-ylmethanol7170-01-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-1H-pyrazol-5-amine1192-21-8 1-Methyl-1H-pyrazol-3-amine1904-31-0 3-Amino-5-methylpyrazole31230-17-8 2-Aminomethyl-1H-imidazole53332-80-2 1-Methyl-1H-imidazol-2-amine6646-51-1 1-Methyl-1H-pyrazol-4-ylamine69843-13-6

Elsewhere

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