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

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

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

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