ChemSpider 2D Image | 6-[4-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-1H-purine | C18H18N8

6-[4-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-1H-purine

  • Molecular FormulaC18H18N8
  • Average mass346.389 Da
  • Monoisotopic mass346.165436 Da
  • ChemSpider ID30217181

More details:

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

6-[4-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-1H-purin [German] [ACD/IUPAC Name]
6-[4-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-1H-purine [ACD/IUPAC Name]
6-[4-(3-Phényl-1H-1,2,4-triazol-5-yl)-1-pipéridinyl]-1H-purine [French] [ACD/IUPAC Name]
7H-Purine, 6-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]- [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: 729.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 394.9±35.7 °C
Index of Refraction: 1.713
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 32.19
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 56.41
ACD/KOC (pH 7.4): 577.57
Polar Surface Area: 99 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 83.6±3.0 dyne/cm
Molar Volume: 248.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement