ChemSpider 2D Image | 4-{5-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,4-triazol-3-yl}pyridine | C18H20N8

4-{5-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,4-triazol-3-yl}pyridine

  • Molecular FormulaC18H20N8
  • Average mass348.405 Da
  • Monoisotopic mass348.181091 Da
  • ChemSpider ID30927527

More details:

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

4-{5-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,4-triazol-3-yl}pyridin [German] [ACD/IUPAC Name]
4-{5-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,4-triazol-3-yl}pyridine [ACD/IUPAC Name]
4-{5-[(3,5-Diméthyl-1H-pyrazol-4-yl)méthyl]-1-[2-(1H-imidazol-4-yl)éthyl]-1H-1,2,4-triazol-3-yl}pyridine [French] [ACD/IUPAC Name]
Pyridine, 4-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(1H-imidazol-5-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: 1.4±0.1 g/cm3
Boiling Point: 768.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 418.8±35.7 °C
Index of Refraction: 1.734
Molar Refractivity: 100.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.36
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 6.05
ACD/KOC (pH 7.4): 105.93
Polar Surface Area: 101 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 250.3±7.0 cm3

Click to predict properties on the Chemicalize site


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