ChemSpider 2D Image | 7-{[(4-Bromo-2-thienyl)methyl]amino}[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one | C10H8BrN5OS

7-{[(4-Bromo-2-thienyl)methyl]amino}[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

  • Molecular FormulaC10H8BrN5OS
  • Average mass326.172 Da
  • Monoisotopic mass324.963287 Da
  • ChemSpider ID47185221

More details:

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

1,2,4-Triazolo[4,3-c]pyrimidin-3(2H)-one, 7-[[(4-bromo-2-thienyl)methyl]amino]- [ACD/Index Name]
7-{[(4-Brom-2-thienyl)methyl]amino}[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-on [German] [ACD/IUPAC Name]
7-{[(4-Bromo-2-thienyl)methyl]amino}[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one [ACD/IUPAC Name]
7-{[(4-Bromo-2-thiényl)méthyl]amino}[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.866
Molar Refractivity: 73.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 3.96
ACD/KOC (pH 5.5): 91.76
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.61
Polar Surface Area: 97 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 82.1±7.0 dyne/cm
Molar Volume: 162.1±7.0 cm3

Click to predict properties on the Chemicalize site


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