ChemSpider 2D Image | 3-[3-(4-Methylphenyl)-1H-pyrazol-5-yl]-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C18H13N7S

3-[3-(4-Methylphenyl)-1H-pyrazol-5-yl]-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC18H13N7S
  • Average mass359.408 Da
  • Monoisotopic mass359.095306 Da
  • ChemSpider ID21509153

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(2-pyridinyl)- [ACD/Index Name]
3-[3-(4-Methylphenyl)-1H-pyrazol-5-yl]-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-[3-(4-Methylphenyl)-1H-pyrazol-5-yl]-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-[3-(4-Méthylphényl)-1H-pyrazol-5-yl]-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
2-{3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine
3-[3-(4-methylphenyl)pyrazol-5-yl]-6-(2-pyridyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazoline

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.837
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.28
ACD/KOC (pH 5.5): 995.22
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.95
ACD/KOC (pH 7.4): 992.23
Polar Surface Area: 113 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 232.4±7.0 cm3

Click to predict properties on the Chemicalize site


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