1-Methyl-1H-tetrazole

C₂H₄N₄CAS 16681-77-984.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₄N₄
Molar mass: 84.08 g/mol
Exact mass: 84.0436 Da
logP: -0.79Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid100% 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

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

16681-77-9

SMILES

CN1C=NN=N1

InChIKey

OMAFFHIGWTVZOH-UHFFFAOYSA-N

InChI

InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3

Weigh it out

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

Names and synonyms

1 names

1H-Tetrazole, 1-methyl-

Work with 1-Methyl-1H-tetrazole

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-1,2,3-triazole16681-65-539 % similar 1-Methyl-1,2,4-triazole6086-21-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-2H-tetrazole4076-36-2 2-Cyanoguanidine461-58-5 4-Amino-1,2,4-triazole584-13-4 3-Amino-1,2,4-triazole61-82-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook