ChemSpider 2D Image | 2-(4-{[4-(3,3-Difluorocyclobutyl)-1-piperazinyl]carbonyl}-5-methyl-1H-pyrazol-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one | C19H21F2N7O2

2-(4-{[4-(3,3-Difluorocyclobutyl)-1-piperazinyl]carbonyl}-5-methyl-1H-pyrazol-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

  • Molecular FormulaC19H21F2N7O2
  • Average mass417.413 Da
  • Monoisotopic mass417.172485 Da
  • ChemSpider ID127437348

More details:

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

2-(4-{[4-(3,3-Difluorcyclobutyl)-1-piperazinyl]carbonyl}-5-methyl-1H-pyrazol-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-on [German] [ACD/IUPAC Name]
2-(4-{[4-(3,3-Difluorocyclobutyl)-1-piperazinyl]carbonyl}-5-methyl-1H-pyrazol-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one [ACD/IUPAC Name]
2-(4-{[4-(3,3-Difluorocyclobutyl)-1-pipérazinyl]carbonyl}-5-méthyl-1H-pyrazol-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one [French] [ACD/IUPAC Name]
Pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one, 2-[4-[[4-(3,3-difluorocyclobutyl)-1-piperazinyl]carbonyl]-5-methyl-1H-pyrazol-1-yl]- [ACD/Index Name]

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: 1.741
Molar Refractivity: 104.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.39
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 257.8±7.0 cm3

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