Found 182 results

Search term: MF = 'C_{8}H_{5}N_{5}'
ChemSpider 2D Image | 2-(1H-1,2,4-Triazol-1-yl)isonicotinonitrile | C8H5N5

2-(1H-1,2,4-Triazol-1-yl)isonicotinonitrile

  • Molecular FormulaC8H5N5
  • Average mass171.159 Da
  • Monoisotopic mass171.054489 Da
  • ChemSpider ID24012025

More details:

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

1016700-35-8 [RN]
2-(1H-1,2,4-Triazol-1-yl)isonicotinonitril [German] [ACD/IUPAC Name]
2-(1H-1,2,4-Triazol-1-yl)isonicotinonitrile [ACD/IUPAC Name]
2-(1H-1,2,4-Triazol-1-yl)isonicotinonitrile [French] [ACD/IUPAC Name]
2-(1H-1,2,4-triazol-1-yl)pyridine-4-carbonitrile
4-Pyridinecarbonitrile, 2-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
MFCD09931368 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 387.9±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 188.4±30.7 °C
    Index of Refraction: 1.712
    Molar Refractivity: 49.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.49
    ACD/LogD (pH 5.5): -0.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.03
    ACD/LogD (pH 7.4): -0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.03
    Polar Surface Area: 67 Å2
    Polarizability: 19.6±0.5 10-24cm3
    Surface Tension: 62.4±7.0 dyne/cm
    Molar Volume: 126.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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