ChemSpider 2D Image | 3-(3-{2-[4-(1H-Imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1H-1,2,4-triazol-5-yl)pyridine | C14H13N9

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

  • Molecular FormulaC14H13N9
  • Average mass307.313 Da
  • Monoisotopic mass307.129395 Da
  • ChemSpider ID29498939

More details:

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

3-(3-{2-[4-(1H-Imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1H-1,2,4-triazol-5-yl)pyridin [German] [ACD/IUPAC Name]
3-(3-{2-[4-(1H-Imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1H-1,2,4-triazol-5-yl)pyridine [ACD/IUPAC Name]
3-(3-{2-[4-(1H-Imidazol-2-yl)-1H-1,2,3-triazol-1-yl]éthyl}-1H-1,2,4-triazol-5-yl)pyridine [French] [ACD/IUPAC Name]
Pyridine, 3-[5-[2-[4-(1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]- [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: 738.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.3±35.7 °C
Index of Refraction: 1.840
Molar Refractivity: 85.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.05
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.31
Polar Surface Area: 114 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 75.9±7.0 dyne/cm
Molar Volume: 192.4±7.0 cm3

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