ChemSpider 2D Image | 1H-1,2,4-Triazole-3,5-dicarboxamide | C4H5N5O2

1H-1,2,4-Triazole-3,5-dicarboxamide

  • Molecular FormulaC4H5N5O2
  • Average mass155.115 Da
  • Monoisotopic mass155.044327 Da
  • ChemSpider ID23978739

More details:

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

1H-1,2,4-Triazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3,5-dicarboxamide [ACD/Index Name] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]
111340-55-7 [RN]
1H-1,2,4-Triazole-3,5-dicarboxamide (9CI)
1H-1,2,4-Triazole-3,5-dicarboxamide(9CI)

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

Density: 1.7±0.1 g/cm3
Boiling Point: 537.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.1±25.4 °C
Index of Refraction: 1.683
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.27
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 121.3±3.0 dyne/cm
Molar Volume: 91.6±3.0 cm3

Click to predict properties on the Chemicalize site


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