ChemSpider 2D Image | 6-Methyl-3-{[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]carbonyl}-1-[3-(trifluoromethyl)phenyl]-4(1H)-pyridazinone | C23H21F3N8O2

6-Methyl-3-{[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]carbonyl}-1-[3-(trifluoromethyl)phenyl]-4(1H)-pyridazinone

  • Molecular FormulaC23H21F3N8O2
  • Average mass498.460 Da
  • Monoisotopic mass498.173950 Da
  • ChemSpider ID103751887

More details:

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

4(1H)-Pyridazinone, 6-methyl-3-[[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]carbonyl]-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
6-Methyl-3-{[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]carbonyl}-1-[3-(trifluormethyl)phenyl]-4(1H)-pyridazinon [German] [ACD/IUPAC Name]
6-Methyl-3-{[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]carbonyl}-1-[3-(trifluoromethyl)phenyl]-4(1H)-pyridazinone [ACD/IUPAC Name]
6-Méthyl-3-{[4-(5-méthyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-pipérazinyl]carbonyl}-1-[3-(trifluorométhyl)phényl]-4(1H)-pyridazinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.17
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 88.58
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.78
ACD/KOC (pH 7.4): 90.17
Polar Surface Area: 99 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 328.7±7.0 cm3

Click to predict properties on the Chemicalize site


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