Found 209 results

Search term: MF = 'C_{16}H_{22}N_{8}'
ChemSpider 2D Image | 2-{1-[2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine | C16H22N8

2-{1-[2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

  • Molecular FormulaC16H22N8
  • Average mass326.400 Da
  • Monoisotopic mass326.196747 Da
  • ChemSpider ID29721582

More details:

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

2-{1-[2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin [German] [ACD/IUPAC Name]
2-{1-[2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine [ACD/IUPAC Name]
2-{1-[2-(3,5-Diméthyl-1H-1,2,4-triazol-1-yl)éthyl]-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, 2-[1-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-1H-imidazol-2-yl]-5,6,7,8-tetrahydro- [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: 648.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.8±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 92.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 230.3±7.0 cm3

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