chempirical

Aminotetrazole

CH3N5CAS 5378-49-485.07 g/mol

Open in Covalent MOL file
NNHNNH2N
Primary amine

Properties

Molecular formula
CH3N5
Molar mass
85.07 g/mol
Exact mass
85.0388 Da
logP
-1.22Crippen estimate
Polar surface area
80.5 Ų
H-bond donors / acceptors
2 / 4
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
5378-49-4
SMILES
C1(=NNN=N1)N
InChIKey
ULRPISSMEBPJLN-UHFFFAOYSA-N
InChI
InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)

Weigh it out

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

Names and synonyms

1 names
  • 5-Amino-1H-tetrazole

Work with Aminotetrazole

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Aminotetrazole4418-61-5

Similar compounds

5-Methyl-2H-tetrazole4076-36-239 % similar 5-(3-Aminophenyl)tetrazole73732-51-138 % similar 5-Phenyltetrazole18039-42-437 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-436 % similar 5-Methylthio-1H-tetrazole29515-99-935 % similar 5-Chloromethyl-1H-tetrazole55408-11-235 % similar 5-Triphenylmethyl-1H-tetrazole109652-10-033 % similar 5-Benzyl-1H-tetrazole18489-25-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook