ChemSpider 2D Image | 2-{1-[2-(1H-1,2,4-Triazol-1-yl)benzyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine | C19H20N8

2-{1-[2-(1H-1,2,4-Triazol-1-yl)benzyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

  • Molecular FormulaC19H20N8
  • Average mass360.416 Da
  • Monoisotopic mass360.181091 Da
  • ChemSpider ID29492429

More details:






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

2-{1-[2-(1H-1,2,4-Triazol-1-yl)benzyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin [German] [ACD/IUPAC Name]
2-{1-[2-(1H-1,2,4-Triazol-1-yl)benzyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine [ACD/IUPAC Name]
2-{1-[2-(1H-1,2,4-Triazol-1-yl)benzyl]-1H-imidazol-2-yl}-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépine [French] [ACD/IUPAC Name]
4H-Pyrazolo[1,5-a][1,4]diazepine, 5,6,7,8-tetrahydro-2-[1-[[2-(1H-1,2,4-triazol-1-yl)phenyl]methyl]-1H-imidazol-2-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.5±35.7 °C
Index of Refraction: 1.769
Molar Refractivity: 104.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 251.7±7.0 cm3

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