ChemSpider 2D Image | (4E)-4-{[(3-Chlorophenyl)amino]methylene}-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one | C16H12ClN7O

(4E)-4-{[(3-Chlorophenyl)amino]methylene}-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC16H12ClN7O
  • Average mass353.766 Da
  • Monoisotopic mass353.079193 Da
  • ChemSpider ID26039254

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-{[(3-Chlorophenyl)amino]methylene}-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4E)-4-{[(3-Chlorophényl)amino]méthylène}-5-méthyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
(4E)-4-{[(3-Chlorphenyl)amino]methylen}-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 4-[[(3-chlorophenyl)amino]methylene]-2,4-dihydro-5-methyl-2-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-, (4E)- [ACD/Index Name]
(4E)-4-[(3-chloroanilino)methylidene]-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-3-one
(4E)-4-{[(3-chlorophenyl)amino]methylidene}-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one
1190324-20-9 [RN]
4-[(3-Chloro-phenylamino)-methylene]-5-methyl-2-[1,2,4]triazolo[4,3-b]pyridazin-6-yl-2,4-dihydro-pyrazol-3-one

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.773
    Molar Refractivity: 94.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.95
    ACD/LogD (pH 5.5): 1.10
    ACD/BCF (pH 5.5): 4.00
    ACD/KOC (pH 5.5): 92.88
    ACD/LogD (pH 7.4): 1.12
    ACD/BCF (pH 7.4): 4.15
    ACD/KOC (pH 7.4): 96.37
    Polar Surface Area: 88 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 66.1±7.0 dyne/cm
    Molar Volume: 226.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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