ChemSpider 2D Image | 5-(5-Amino-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid | C5H4N6O3

5-(5-Amino-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

  • Molecular FormulaC5H4N6O3
  • Average mass196.124 Da
  • Monoisotopic mass196.034485 Da
  • ChemSpider ID46121733

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2,4-Oxadiazole-3-carboxylic acid, 5-(5-amino-1H-1,2,4-triazol-3-yl)- [ACD/Index Name]
5-(5-Amino-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(5-Amino-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-(5-amino-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole-3-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 668.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 357.9±26.8 °C
Index of Refraction: 1.725
Molar Refractivity: 41.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 144.2±3.0 dyne/cm
Molar Volume: 103.5±3.0 cm3

Click to predict properties on the Chemicalize site


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