ChemSpider 2D Image | 3-({4-[2,4-Dimethyl-6-(1H-pyrazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}methyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole | C19H20N8

3-({4-[2,4-Dimethyl-6-(1H-pyrazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}methyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

  • Molecular FormulaC19H20N8
  • Average mass360.416 Da
  • Monoisotopic mass360.181091 Da
  • ChemSpider ID29485159

More details:






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

3-({4-[2,4-Dimethyl-6-(1H-pyrazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}methyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol [German] [ACD/IUPAC Name]
3-({4-[2,4-Dimethyl-6-(1H-pyrazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}methyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole [ACD/IUPAC Name]
3-({4-[2,4-Diméthyl-6-(1H-pyrazol-1-yl)phényl]-1H-1,2,3-triazol-1-yl}méthyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole [French] [ACD/IUPAC Name]
5H-Pyrrolo[2,1-c]-1,2,4-triazole, 3-[[4-[2,4-dimethyl-6-(1H-pyrazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl]methyl]-6,7-dihydro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 330.9±34.3 °C
Index of Refraction: 1.773
Molar Refractivity: 104.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.86
ACD/KOC (pH 5.5): 326.61
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.93
ACD/KOC (pH 7.4): 327.64
Polar Surface Area: 79 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 250.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement