chempirical

1,2,4-Triazole-3-carboxylic acid hydrazide

C3H5N5OCAS 21732-98-9127.11 g/mol

Open in Covalent MOL file
H2NNHONNHN
AmidePrimary amine

Properties

Molecular formula
C3H5N5O
Molar mass
127.11 g/mol
Exact mass
127.0494 Da
logP
-1.59Crippen estimate
Polar surface area
96.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
21732-98-9
SMILES
NNC(=O)c1nc[nH]n1
InChIKey
BKTBECSWYCHYID-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N5O/c4-7-3(9)2-5-1-6-8-2/h1H,4H2,(H,7,9)(H,5,6,8)

Weigh it out

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

Names and synonyms

6 names
  • 1H-1,2,4-Triazole-5-carboxylic acid, hydrazide
  • s-Triazole-3-carboxylic acid, hydrazide
  • 1H-1,2,4-Triazole-3-carboxylic acid, hydrazide
  • IF 337
  • 1H-1,2,4-Triazole-5-carbohydrazide
  • 1H-1,2,4-Triazole-3-carbohydrazide

Work with 1,2,4-Triazole-3-carboxylic acid hydrazide

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

Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-549 % similar 1,2,4-Triazole-3-carboxylic acid4928-87-448 % similar Terephthalic dihydrazide136-64-142 % similar Isoniazid54-85-340 % similar 3-Mercapto-1,2,4-triazole3179-31-539 % similar 4-Aminobenzoic acid hydrazide5351-17-736 % similar 2-Furancarboxylic acid hydrazide3326-71-435 % similar 4-Methylbenzohydrazide3619-22-535 % similar

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

Elsewhere

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