ChemSpider 2D Image | 1-Methyl-8-nitro-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | C16H12N6O2

1-Methyl-8-nitro-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

  • Molecular FormulaC16H12N6O2
  • Average mass320.306 Da
  • Monoisotopic mass320.102173 Da
  • ChemSpider ID15417687

More details:

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

1-Methyl-8-nitro-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
1-Methyl-8-nitro-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine [ACD/IUPAC Name]
1-Méthyl-8-nitro-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 1-methyl-8-nitro-6-(2-pyridinyl)- [ACD/Index Name]
1-methyl-8-nitro-6-(pyridin-2-yl)-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine
2034366-97-5 [RN]
3-methyl-12-nitro-9-(pyridin-2-yl)-2,4,5,8-tetraazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,8,10,12-hexaene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.0 g/cm3
Boiling Point: 576.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 86.4±0.0 kJ/mol
Flash Point: 302.6±0.0 °C
Index of Refraction: 1.774
Molar Refractivity: 87.7±0.0 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.70
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.70
Polar Surface Area: 102 Å2
Polarizability: 34.8±0.0 10-24cm3
Surface Tension: 68.2±0.0 dyne/cm
Molar Volume: 210.2±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement