ChemSpider 2D Image | 5-{3-[(6,7-Difluoro-4-quinazolinyl)amino]propyl}-1,2-dihydro-3H-1,2,4-triazol-3-one | C13H12F2N6O

5-{3-[(6,7-Difluoro-4-quinazolinyl)amino]propyl}-1,2-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC13H12F2N6O
  • Average mass306.271 Da
  • Monoisotopic mass306.104065 Da
  • ChemSpider ID30269255

More details:

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

3H-1,2,4-Triazol-3-one, 5-[3-[(6,7-difluoro-4-quinazolinyl)amino]propyl]-1,2-dihydro- [ACD/Index Name]
5-{3-[(6,7-Difluor-4-chinazolinyl)amino]propyl}-1,2-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-{3-[(6,7-Difluoro-4-quinazolinyl)amino]propyl}-1,2-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-{3-[(6,7-Difluoro-4-quinazolinyl)amino]propyl}-1,2-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC 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: 1.715
Molar Refractivity: 73.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.70
Polar Surface Area: 91 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 187.7±7.0 cm3

Click to predict properties on the Chemicalize site


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