ChemSpider 2D Image | 3-[(4-Bromo-2-thienyl)methyl]-7-methyl-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one | C10H8BrN5OS

3-[(4-Bromo-2-thienyl)methyl]-7-methyl-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one

  • Molecular FormulaC10H8BrN5OS
  • Average mass326.172 Da
  • Monoisotopic mass324.963287 Da
  • ChemSpider ID47404459

More details:

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

3-[(4-Brom-2-thienyl)methyl]-7-methyl-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-on [German] [ACD/IUPAC Name]
3-[(4-Bromo-2-thienyl)methyl]-7-methyl-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one [ACD/IUPAC Name]
3-[(4-Bromo-2-thiényl)méthyl]-7-méthyl-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one [French] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]-1,2,3-triazin-4-one, 3-[(4-bromo-2-thienyl)methyl]-3,7-dihydro-7-methyl- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 496.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.8±31.5 °C
Index of Refraction: 1.840
Molar Refractivity: 74.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.32
ACD/KOC (pH 5.5): 185.05
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.32
ACD/KOC (pH 7.4): 185.05
Polar Surface Area: 91 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 76.5±7.0 dyne/cm
Molar Volume: 167.3±7.0 cm3

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