5-Methyl-2H-tetrazole

C2H4N4CAS 4076-36-284.08 g/mol

Open in Covalent MOL file
NNNHN

Properties

Molecular formula
C2H4N4
Molar mass
84.08 g/mol
Exact mass
84.0436 Da
Melting point
145–146 °C
logP
-0.49Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 45 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
4076-36-2
SMILES
Cc1nn[nH]n1
InChIKey
XZGLNCKSNVGDNX-UHFFFAOYSA-N
InChI
InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)

Weigh it out

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

Names and synonyms

8 names
  • 2H-Tetrazole, 5-methyl-
  • 1H-Tetrazole, 5-methyl-
  • 5-Methyltetrazole
  • 5-Methyl-1,2,3,4-tetrazole
  • T 2588F
  • 5-Methyl-1H-tetrazole
  • NSC 11136
  • M 5T

Work with 5-Methyl-2H-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

5-Methylthio-1H-tetrazole29515-99-940 % similar Aminotetrazole5378-49-439 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-538 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-436 % similar 5-(Ethylthio)-1H-tetrazole89797-68-236 % similar 5-Chloromethyl-1H-tetrazole55408-11-235 % similar 5-Phenyltetrazole18039-42-432 % similar 5-(2-Chloroethyl)-2H-tetrazole18755-46-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-1H-tetrazole16681-77-9 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