ChemSpider 2D Image | 2-(2-Furyl)-5-[(7R,9aS)-7-{[(4-pyridinylmethyl)amino]methyl}octahydro-2H-pyrido[1,2-a]pyrazin-2-yl][1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine | C23H28N10O

2-(2-Furyl)-5-[(7R,9aS)-7-{[(4-pyridinylmethyl)amino]methyl}octahydro-2H-pyrido[1,2-a]pyrazin-2-yl][1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

  • Molecular FormulaC23H28N10O
  • Average mass460.535 Da
  • Monoisotopic mass460.244751 Da
  • ChemSpider ID23281264

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(2-Furyl)-5-[(7R,9aS)-7-{[(4-pyridinylmethyl)amino]methyl}octahydro-2H-pyrido[1,2-a]pyrazin-2-yl][1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amin [German] [ACD/IUPAC Name]
2-(2-Furyl)-5-[(7R,9aS)-7-{[(4-pyridinylmethyl)amino]methyl}octahydro-2H-pyrido[1,2-a]pyrazin-2-yl][1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine [ACD/IUPAC Name]
2-(2-Furyl)-5-[(7R,9aS)-7-{[(4-pyridinylméthyl)amino]méthyl}octahydro-2H-pyrido[1,2-a]pyrazin-2-yl][1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine [French] [ACD/IUPAC Name]
2-(furan-2-yl)-5-[(7R,9aS)-7-{[(pyridin-4-ylmethyl)amino]methyl}octahydro-2H-pyrido[1,2-a]pyrazin-2-yl][1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
2H-Pyrido[1,2-a]pyrazine-7-methanamine, 2-[7-amino-2-(2-furanyl)[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]octahydro-N-(4-pyridinylmethyl)-, (7R,9aS)- [ACD/Index Name]
(7RS,9aRS)-2-furan-2-yl-5-(7-{[(pyridin-4-ylmethyl)-amino]methyl}octahydropyrido[1,2-a]pyrazin-2-yl)[1,2,4]-triazolo[1,5-a][1,3,5]triazin-7-ylamine
CHEMBL224971

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.805
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.42
Polar Surface Area: 127 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 72.3±7.0 dyne/cm
Molar Volume: 295.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement