Found 1 result

Search term: PYEUBUNDCOWMBR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Bromo-2-[(2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]benzonitrile | C14H14BrN5

5-Bromo-2-[(2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]benzonitrile

  • Molecular FormulaC14H14BrN5
  • Average mass332.198 Da
  • Monoisotopic mass331.043243 Da
  • ChemSpider ID30428687

More details:

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

5-Brom-2-[(2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]benzonitril [German] [ACD/IUPAC Name]
5-Bromo-2-[(2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]benzonitrile [ACD/IUPAC Name]
5-Bromo-2-[(2-méthyl-5,6,7,8-tétrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-bromo-2-[(5,6,7,8-tetrahydro-2-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]- [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: 552.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.2±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 81.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.96
ACD/KOC (pH 5.5): 524.70
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.70
ACD/KOC (pH 7.4): 545.07
Polar Surface Area: 67 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 205.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement