ChemSpider 2D Image | 5-{1-[1-Phenyl-3-(1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl}pyrimidine | C17H16N8

5-{1-[1-Phenyl-3-(1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl}pyrimidine

  • Molecular FormulaC17H16N8
  • Average mass332.362 Da
  • Monoisotopic mass332.149780 Da
  • ChemSpider ID29486030

More details:

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

5-{1-[1-Phenyl-3-(1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl}pyrimidin [German] [ACD/IUPAC Name]
5-{1-[1-Phenyl-3-(1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl}pyrimidine [ACD/IUPAC Name]
5-{1-[1-Phényl-3-(1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-yl}pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 5-[1-[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,3-triazol-4-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: 634.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.4±34.3 °C
Index of Refraction: 1.733
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.57
ACD/KOC (pH 5.5): 103.07
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.59
ACD/KOC (pH 7.4): 103.51
Polar Surface Area: 87 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 242.0±7.0 cm3

Click to predict properties on the Chemicalize site


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