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

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

  • Molecular FormulaC18H20N8
  • Average mass348.405 Da
  • Monoisotopic mass348.181091 Da
  • ChemSpider ID29478547

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 667.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.4±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: 0.20
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.10
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 81.34
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

Click to predict properties on the Chemicalize site


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