ChemSpider 2D Image | 5-{1-[2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-yl}-2-(2-pyridinyl)pyrimidine | C17H16N8

5-{1-[2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-yl}-2-(2-pyridinyl)pyrimidine

  • Molecular FormulaC17H16N8
  • Average mass332.362 Da
  • Monoisotopic mass332.149780 Da
  • ChemSpider ID29765246

More details:

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

5-{1-[2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-yl}-2-(2-pyridinyl)pyrimidin [German] [ACD/IUPAC Name]
5-{1-[2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-yl}-2-(2-pyridinyl)pyrimidine [ACD/IUPAC Name]
5-{1-[2-(4-Méthyl-4H-1,2,4-triazol-3-yl)éthyl]-1H-imidazol-2-yl}-2-(2-pyridinyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 5-[1-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-yl]-2-(2-pyridinyl)- [ACD/Index Name]
5-{1-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-yl}-2-pyridin-2-ylpyrimidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 549.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.3±32.9 °C
Index of Refraction: 1.735
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.47
ACD/KOC (pH 5.5): 84.11
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 86.39
Polar Surface Area: 87 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 241.2±7.0 cm3

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