ChemSpider 2D Image | 6-{[4-(1-Azepanyl)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}-2-methyl-3(2H)-pyridazinone | C16H23N7O2

6-{[4-(1-Azepanyl)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}-2-methyl-3(2H)-pyridazinone

  • Molecular FormulaC16H23N7O2
  • Average mass345.400 Da
  • Monoisotopic mass345.191315 Da
  • ChemSpider ID21686557

More details:

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

3(2H)-Pyridazinone, 6-[[4-(ethylamino)-6-(hexahydro-1H-azepin-1-yl)-1,3,5-triazin-2-yl]oxy]-2-methyl- [ACD/Index Name]
6-{[4-(1-Azepanyl)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}-2-methyl-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
6-{[4-(1-Azepanyl)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}-2-methyl-3(2H)-pyridazinone [ACD/IUPAC Name]
6-{[4-(1-Azépanyl)-6-(éthylamino)-1,3,5-triazin-2-yl]oxy}-2-méthyl-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
1021111-15-8 [RN]
6-[[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
6-{[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}-2-methylpyridazin-3(2H)-one

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 550.9±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.1±3.0 kJ/mol
    Flash Point: 287.0±25.4 °C
    Index of Refraction: 1.667
    Molar Refractivity: 93.7±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.05
    ACD/LogD (pH 5.5): 0.50
    ACD/BCF (pH 5.5): 1.30
    ACD/KOC (pH 5.5): 37.97
    ACD/LogD (pH 7.4): 0.66
    ACD/BCF (pH 7.4): 1.87
    ACD/KOC (pH 7.4): 54.33
    Polar Surface Area: 96 Å2
    Polarizability: 37.1±0.5 10-24cm3
    Surface Tension: 54.7±7.0 dyne/cm
    Molar Volume: 251.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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