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Search term: YRBKEZXQBXATGS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-Isobutyl-6-(6-methyl-3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C13H15N5S

3-Isobutyl-6-(6-methyl-3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC13H15N5S
  • Average mass273.357 Da
  • Monoisotopic mass273.104828 Da
  • ChemSpider ID21748822

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-(2-methylpropyl)-6-(6-methyl-3-pyridinyl)- [ACD/Index Name]
3-Isobutyl-6-(6-methyl-3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-Isobutyl-6-(6-methyl-3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-Isobutyl-6-(6-méthyl-3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
3-Isobutyl-6-(6-methylpyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2-methylpropyl)-6-(6-methylpyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2-methylpropyl)-6-(6-methylpyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-Isobutyl-6-(6-methyl-pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
947856-64-6 [RN]
Benzoic acid, 4-(aminomethyl)- (9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 78.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.03
ACD/KOC (pH 5.5): 579.72
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.37
ACD/KOC (pH 7.4): 583.63
Polar Surface Area: 84 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 197.9±7.0 cm3

Click to predict properties on the Chemicalize site






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