ChemSpider 2D Image | 1,6-Diamino-2-oxo-4-[3-(1H-1,2,4-triazol-1-yl)phenyl]-1,2-dihydro-3,5-pyridinedicarbonitrile | C15H10N8O

1,6-Diamino-2-oxo-4-[3-(1H-1,2,4-triazol-1-yl)phenyl]-1,2-dihydro-3,5-pyridinedicarbonitrile

  • Molecular FormulaC15H10N8O
  • Average mass318.293 Da
  • Monoisotopic mass318.097748 Da
  • ChemSpider ID82754416

More details:

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

1,6-Diamino-2-oxo-4-[3-(1H-1,2,4-triazol-1-yl)phenyl]-1,2-dihydro-3,5-pyridindicarbonitril [German] [ACD/IUPAC Name]
1,6-Diamino-2-oxo-4-[3-(1H-1,2,4-triazol-1-yl)phenyl]-1,2-dihydro-3,5-pyridinedicarbonitrile [ACD/IUPAC Name]
1,6-Diamino-2-oxo-4-[3-(1H-1,2,4-triazol-1-yl)phényl]-1,2-dihydro-3,5-pyridinedicarbonitrile [French] [ACD/IUPAC Name]
3,5-Pyridinedicarbonitrile, 1,6-diamino-1,2-dihydro-2-oxo-4-[3-(1H-1,2,4-triazol-1-yl)phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 524.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.3±32.9 °C
Index of Refraction: 1.792
Molar Refractivity: 86.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.92
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.94
Polar Surface Area: 151 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 80.7±7.0 dyne/cm
Molar Volume: 203.9±7.0 cm3

Click to predict properties on the Chemicalize site


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