ChemSpider 2D Image | Phenyl(5-(pyrazin-2-yl)-1H-1,2,4-triazol-3-yl)methanamine | C13H12N6

Phenyl(5-(pyrazin-2-yl)-1H-1,2,4-triazol-3-yl)methanamine

  • Molecular FormulaC13H12N6
  • Average mass252.275 Da
  • Monoisotopic mass252.112350 Da
  • ChemSpider ID29359317

More details:

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

1708370-91-5 [RN]
1H-1,2,4-Triazole-3-methanamine, α-phenyl-5-(2-pyrazinyl)- [ACD/Index Name]
1-Phenyl-1-[3-(2-pyrazinyl)-1H-1,2,4-triazol-5-yl]methanamin [German] [ACD/IUPAC Name]
1-Phenyl-1-[3-(2-pyrazinyl)-1H-1,2,4-triazol-5-yl]methanamine [ACD/IUPAC Name]
1-Phényl-1-[3-(2-pyrazinyl)-1H-1,2,4-triazol-5-yl]méthanamine [French] [ACD/IUPAC Name]
Phenyl(5-(pyrazin-2-yl)-1H-1,2,4-triazol-3-yl)methanamine
AKOS016052680
MFCD26526103
phenyl-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methanamine
phenyl-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)methanamine

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 530.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.6±3.0 kJ/mol
    Flash Point: 308.1±20.1 °C
    Index of Refraction: 1.665
    Molar Refractivity: 70.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.26
    ACD/LogD (pH 5.5): 0.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 24.67
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.73
    ACD/KOC (pH 7.4): 43.97
    Polar Surface Area: 93 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 73.5±3.0 dyne/cm
    Molar Volume: 189.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement