chempirical

5-Aminotetrazole monohydrate

CH5N5OCAS 15454-54-3103.08 g/mol

Open in Covalent MOL file
HNNNNHHNH2O

Properties

Molecular formula
CH5N5O
Molar mass
103.08 g/mol
Exact mass
103.0494 Da
Melting point
203–204 °C
logP
-2.21Crippen estimate
Polar surface area
112.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
15454-54-3
SMILES
N=c1nn[nH][nH]1.O
InChIKey
JVSMPWHQUPKRNV-UHFFFAOYSA-N
InChI
InChI=1S/CH3N5.H2O/c2-1-3-5-6-4-1;/h(H3,2,3,4,5,6);1H2

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

Names and synonyms

4 names
  • 2H-Tetrazol-5-amine, hydrate (1:1)
  • 1H-Tetrazole, 5-amino-, monohydrate
  • 1H-Tetrazol-5-amine, monohydrate
  • 1H-1,2,3,4-Tetrazol-5-amine hydrate

Work with 5-Aminotetrazole monohydrate

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-Aminotetrazole4418-61-584 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook