ChemSpider 2D Image | 2-[3-(1-Cyanoethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile | C16H17N5

2-[3-(1-Cyanoethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile

  • Molecular FormulaC16H17N5
  • Average mass279.340 Da
  • Monoisotopic mass279.148407 Da
  • ChemSpider ID26510549

More details:

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

1,3-Benzenediacetonitrile, α1,α1,α3-trimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)- [ACD/Index Name]
1215780-15-6 [RN]
2-[3-(1-Cyanethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropannitril [German] [ACD/IUPAC Name]
2-[3-(1-Cyanoethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile [ACD/IUPAC Name]
2-[3-(1-Cyanoéthyl)-5-(1H-1,2,4-triazol-1-ylméthyl)phényl]-2-méthylpropanenitrile [French] [ACD/IUPAC Name]
??-Desmethyl Anastrozole
1346601-01-1 [RN]
2-[3-(1-cyanoethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
2-[3-(1-cyano-ethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propionitrile
2-{3-(1-Cyanoethyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2-methylpropanenitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 477.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.1±3.0 kJ/mol
    Flash Point: 242.6±31.5 °C
    Index of Refraction: 1.597
    Molar Refractivity: 85.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.62
    ACD/LogD (pH 5.5): 2.18
    ACD/BCF (pH 5.5): 26.57
    ACD/KOC (pH 5.5): 363.84
    ACD/LogD (pH 7.4): 2.18
    ACD/BCF (pH 7.4): 26.62
    ACD/KOC (pH 7.4): 364.59
    Polar Surface Area: 78 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 43.9±7.0 dyne/cm
    Molar Volume: 249.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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