ChemSpider 2D Image | 3-Cyano-1H-1,2,4-triazole-5-carboxylic acid | C4H2N4O2

3-Cyano-1H-1,2,4-triazole-5-carboxylic acid

  • Molecular FormulaC4H2N4O2
  • Average mass138.084 Da
  • Monoisotopic mass138.017776 Da
  • ChemSpider ID32992834

More details:

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

1H-1,2,4-Triazole-5-carboxylic acid, 3-cyano- [ACD/Index Name]
26663-11-6 [RN]
3-Cyan-1H-1,2,4-triazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-Cyano-1H-1,2,4-triazole-5-carboxylic acid [ACD/IUPAC Name]
5-Cyano-1H-1,2,4-triazole-3-carboxylic acid
Acide 3-cyano-1H-1,2,4-triazole-5-carboxylique [French] [ACD/IUPAC Name]
1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 5-CYANO-

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

Density: 1.8±0.1 g/cm3
Boiling Point: 503.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 258.3±25.4 °C
Index of Refraction: 1.629
Molar Refractivity: 27.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 147.5±5.0 dyne/cm
Molar Volume: 76.3±5.0 cm3

Click to predict properties on the Chemicalize site


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