ChemSpider 2D Image | 6-{3-[5-(1H-Imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-pyridinecarbonitrile | C18H20N8

6-{3-[5-(1H-Imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-pyridinecarbonitrile

  • Molecular FormulaC18H20N8
  • Average mass348.405 Da
  • Monoisotopic mass348.181091 Da
  • ChemSpider ID29487329

More details:






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

2-Pyridinecarbonitrile, 6-[3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperidinyl]- [ACD/Index Name]
6-{3-[5-(1H-Imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-pyridincarbonitril [German] [ACD/IUPAC Name]
6-{3-[5-(1H-Imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-pyridinecarbonitrile [ACD/IUPAC Name]
6-{3-[5-(1H-Imidazol-1-ylméthyl)-4-méthyl-4H-1,2,4-triazol-3-yl]-1-pipéridinyl}-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]
6-{3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyridine-2-carbonitrile

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 686.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.7±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 101.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.85
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 53.16
Polar Surface Area: 88 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 255.4±7.0 cm3

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