ChemSpider 2D Image | 2-[(3-Cyano-1H-1,2,4-triazol-1-yl)methyl]-1-indolizinecarbonitrile | C13H8N6

2-[(3-Cyano-1H-1,2,4-triazol-1-yl)methyl]-1-indolizinecarbonitrile

  • Molecular FormulaC13H8N6
  • Average mass248.243 Da
  • Monoisotopic mass248.081039 Da
  • ChemSpider ID30626584

More details:

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

1-Indolizinecarbonitrile, 2-[(3-cyano-1H-1,2,4-triazol-1-yl)methyl]- [ACD/Index Name]
2-[(3-Cyan-1H-1,2,4-triazol-1-yl)methyl]-1-indolizincarbonitril [German] [ACD/IUPAC Name]
2-[(3-Cyano-1H-1,2,4-triazol-1-yl)methyl]-1-indolizinecarbonitrile [ACD/IUPAC Name]
2-[(3-Cyano-1H-1,2,4-triazol-1-yl)méthyl]-1-indolizinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 72.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 65.88
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 65.88
Polar Surface Area: 83 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 181.0±7.0 cm3

Click to predict properties on the Chemicalize site


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