ChemSpider 2D Image | 1-Propyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole | C18H20N8

1-Propyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole

  • Molecular FormulaC18H20N8
  • Average mass348.405 Da
  • Monoisotopic mass348.181091 Da
  • ChemSpider ID29490563

More details:






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

1H-1,2,4-Triazole, 1-propyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-3-(1H-1,2,4-triazol-1-ylmethyl)- [ACD/Index Name]
1-Propyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-Propyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
1-Propyl-5-[3-(1H-pyrazol-1-ylméthyl)phényl]-3-(1H-1,2,4-triazol-1-ylméthyl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.1±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.83
ACD/KOC (pH 5.5): 228.03
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.84
ACD/KOC (pH 7.4): 228.27
Polar Surface Area: 79 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 263.3±7.0 cm3

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