chempirical

3-Amino-1,2,4-triazole-5-carboxylic acid

C3H4N4O2CAS 3641-13-2128.09 g/mol

Open in Covalent MOL file
HNHNNOOHNH
Carboxylic acid

Properties

Molecular formula
C3H4N4O2
Molar mass
128.09 g/mol
Exact mass
128.0334 Da
Melting point
178 °C
logP
-1.08Crippen estimate
Polar surface area
105.6 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
1

Identifiers

CAS number
3641-13-2
SMILES
N=c1[nH]nc(C(=O)O)[nH]1
InChIKey
MVRGLMCHDCMPKD-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N4O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H3,4,5,6,7)

Weigh it out

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

Names and synonyms

15 names · show all
  • 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-
  • s-Triazole-3-carboxylic acid, 5-amino-
  • 5-Amino-1H-1,2,4-triazole-3-carboxylic acid
  • 3-Amino-5-carboxy-1,2,4-triazole
  • 5-Carboxy-2-amino-1,3,4-triazole
  • 2-Amino-5-carboxy-1,3,4-triazole
  • NSC 164710
  • NSC 513580
  • 3-Amino-1H-1,2,4-trizole-5-carboxylic acid
  • 5-Amino-2H-1,2,4-triazole-3-carboxylic acid
  • 5-Amino-[1,3,4]triazole-2-carboxylic acid
  • 3-Amino-1H-1,2,4-triazole-5-carboxylic acid
  • 5-Carboxy-3-amino-1,2,4-triazole
  • 5-Amino-1,2,4-triazole-3-carboxylic acid
  • 5-Amino-3-carboxyl-1,2,4-triazole

Work with 3-Amino-1,2,4-triazole-5-carboxylic acid

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 5-amino-1H-1,2,4-triazole-3-carboxylate3641-14-358 % similar 1H-Imidazole-2-carboxylic acid16042-25-438 % similar Pyrazole-3,5-dicarboxylic acid3112-31-038 % similar 1H-Benzimidazole-2-carboxylic acid2849-93-637 % similar 5-Bromo-1H-pyrazole-3-carboxylic acid1328893-16-836 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-936 % similar 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-935 % similar 5-Pyrimidinecarboxylic acid4595-61-334 % similar

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

Same formula

1H-Tetrazole-1-acetic acid21732-17-2 Tetrazole-5-acetic acid21743-75-9 Ammelide645-93-2

Elsewhere

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