chempirical

2,4-Dihydro-3H-1,2,4-triazol-3-one

C2H3N3OCAS 930-33-685.07 g/mol

Open in Covalent MOL file
HONNHN
Phenol

Properties

Molecular formula
C2H3N3O
Molar mass
85.07 g/mol
Exact mass
85.0276 Da
Melting point
234–235 °C
logP
-0.49Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
930-33-6
SMILES
Oc1nc[nH]n1
InChIKey
LZTSCEYDCZBRCJ-UHFFFAOYSA-N
InChI
InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)

Weigh it out

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

Names and synonyms

9 names
  • 3H-1,2,4-Triazol-3-one, 1,2-dihydro-
  • δ2-1,2,4-Triazolin-5-one
  • s-Triazol-3-ol
  • 1,2-Dihydro-3H-1,2,4-triazol-3-one
  • 1H-1,2,4-Triazol-3-ol
  • NSC 119861
  • NSC 153380
  • 1,2-Dihydro-3H-1,2,4-triazole-3-one
  • 1,2-Dihydro-1,2,4-triazol-3-one

Work with 2,4-Dihydro-3H-1,2,4-triazol-3-one

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-Chloro-1H-1,2,4-triazole6818-99-143 % similar 3-Mercapto-1,2,4-triazole3179-31-542 % similar 3-Methyl-1,2,4-triazole7170-01-642 % similar 1,2,4-Triazole-3-carboxylic acid4928-87-438 % similar 1H-1,2,4-Triazole-5-carbonitrile3641-10-937 % similar Pyrimidone557-01-735 % similar 3-Nitro-1,2,4-triazole24807-55-434 % similar Xanthine69-89-631 % similar

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

Elsewhere

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