ChemSpider 2D Image | 1-(4-Methyl-1-phthalazinyl)-1H-1,2,4-triazole-3-carbonitrile | C12H8N6

1-(4-Methyl-1-phthalazinyl)-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC12H8N6
  • Average mass236.232 Da
  • Monoisotopic mass236.081039 Da
  • ChemSpider ID26197636

More details:

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

1-(4-Méthyl-1-phtalazinyl)-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1-(4-Methyl-1-phthalazinyl)-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1-(4-Methyl-1-phthalazinyl)-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-(4-methyl-1-phthalazinyl)- [ACD/Index Name]
1-(4-methylphthalazin-1-yl)-1H-1,2,4-triazole-3-carbonitrile
1241170-40-0 [RN]
MFCD17294754

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

Density: 1.4±0.1 g/cm3
Boiling Point: 569.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.3±27.9 °C
Index of Refraction: 1.758
Molar Refractivity: 68.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 53.35
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 53.35
Polar Surface Area: 80 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 165.8±7.0 cm3

Click to predict properties on the Chemicalize site


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