chempirical

Triazole sodium salt

C2H2N3NaCAS 41253-21-891.05 g/mol

Open in Covalent MOL file
N−NNNa+

Properties

Molecular formula
C2H2N3Na
Molar mass
91.05 g/mol
Exact mass
91.0146 Da
logP
-0.58Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
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
41253-21-8
SMILES
c1[n-]ncn1.[Na+]
InChIKey
MDUSUFIKBUMDTJ-UHFFFAOYSA-N
InChI
InChI=1S/C2H3N3.Na/c1-3-2-5-4-1;/h1-2H,(H,3,4,5);

Weigh it out

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

Names and synonyms

6 names
  • 1H-1,2,4-Triazole, sodium salt (1:1)
  • 1H-1,2,4-Triazole, sodium salt
  • 1,2,4-Triazole sodium salt
  • Sodium 1H-1,2,4-triazolide
  • Sodium 1H-1,2,4-triazolate
  • Sodium 1,2,4-triazole-4-ide

Work with Triazole sodium salt

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.

1,2,4-Triazole288-88-0Free acid

Similar compounds

Azocyclotin41083-11-846 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook