ChemSpider 2D Image | 1-{2-[3-(3-Pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-benzotriazole | C15H13N7

1-{2-[3-(3-Pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-benzotriazole

  • Molecular FormulaC15H13N7
  • Average mass291.311 Da
  • Monoisotopic mass291.123230 Da
  • ChemSpider ID29630492

More details:

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

1-{2-[3-(3-Pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-benzotriazol [German] [ACD/IUPAC Name]
1-{2-[3-(3-Pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-benzotriazole [ACD/IUPAC Name]
1-{2-[3-(3-Pyridinyl)-1H-1,2,4-triazol-5-yl]éthyl}-1H-benzotriazole [French] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazole, 1-[2-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]- [ACD/Index Name]
1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,3-benzotriazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 615.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.8±34.3 °C
Index of Refraction: 1.783
Molar Refractivity: 83.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.63
ACD/KOC (pH 5.5): 134.79
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.60
ACD/KOC (pH 7.4): 134.08
Polar Surface Area: 85 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 199.1±7.0 cm3

Click to predict properties on the Chemicalize site


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