ChemSpider 2D Image | 1-(7H-Purin-6-yl)-1H-1,2,4-triazole-3-carbonitrile | C8H4N8

1-(7H-Purin-6-yl)-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC8H4N8
  • Average mass212.171 Da
  • Monoisotopic mass212.055893 Da
  • ChemSpider ID38065575

More details:

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

1-(7H-Purin-6-yl)-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1-(7H-Purin-6-yl)-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1-(7H-Purin-6-yl)-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-(7H-purin-6-yl)- [ACD/Index 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: 667.0±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.2±32.3 °C
Index of Refraction: 2.002
Molar Refractivity: 56.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.14
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.17
Polar Surface Area: 109 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 106.2±7.0 dyne/cm
Molar Volume: 111.7±7.0 cm3

Click to predict properties on the Chemicalize site


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