ChemSpider 2D Image | 5-(Cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-3-yl)-3(2H)-pyridazinone | C18H20N6O

5-(Cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-3-yl)-3(2H)-pyridazinone

  • Molecular FormulaC18H20N6O
  • Average mass336.391 Da
  • Monoisotopic mass336.169861 Da
  • ChemSpider ID31136035

More details:






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

3(2H)-Pyridazinone, 5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-3-yl)- [ACD/Index Name]
5-(Cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-3-yl)-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
5-(Cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-3-yl)-3(2H)-pyridazinone [ACD/IUPAC Name]
5-(Cyclohexylamino)-2-phényl-6-(1H-1,2,4-triazol-3-yl)-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
5-(Cyclohexylamino)-2-Phenyl-6-(1h-1,2,4-Triazol-5-Yl)-3(2h)-Pyridazinone
JW7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 602.5±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.1±32.3 °C
Index of Refraction: 1.726
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.54
ACD/KOC (pH 5.5): 174.91
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.16
ACD/KOC (pH 7.4): 167.90
Polar Surface Area: 86 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 239.9±7.0 cm3

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