ChemSpider 2D Image | 2-Ethyl-5-{[(4-fluorophenyl)amino]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one | C11H13FN4O

2-Ethyl-5-{[(4-fluorophenyl)amino]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC11H13FN4O
  • Average mass236.245 Da
  • Monoisotopic mass236.107346 Da
  • ChemSpider ID26040786

More details:

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

2-Ethyl-5-{[(4-fluorophenyl)amino]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
2-Éthyl-5-{[(4-fluorophényl)amino]méthyl}-1,2-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
2-Ethyl-5-{[(4-fluorphenyl)amino]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-one, 2-ethyl-5-[[(4-fluorophenyl)amino]methyl]-1,2-dihydro- [ACD/Index Name]
1219572-39-0 [RN]
2-ethyl-5-[(4-fluoroanilino)methyl]-1H-1,2,4-triazol-3-one
2-ethyl-5-{[(4-fluorophenyl)amino]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 361.8±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 172.6±30.7 °C
    Index of Refraction: 1.616
    Molar Refractivity: 61.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.28
    ACD/LogD (pH 5.5): -0.90
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.62
    ACD/LogD (pH 7.4): 0.40
    ACD/BCF (pH 7.4): 1.07
    ACD/KOC (pH 7.4): 32.38
    Polar Surface Area: 57 Å2
    Polarizability: 24.5±0.5 10-24cm3
    Surface Tension: 46.2±7.0 dyne/cm
    Molar Volume: 176.9±7.0 cm3

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