2-{3-[4-(2-Methylphenyl)-3,6-Dihydro-1(2H)-Pyridinyl]Propyl}[1,2,4]Triazolo[4,3-A]Pyridin-3(2H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H24N4O
IUPAC Name 2-[3-[(1r)-4-(o-tolyl)-3,6-dihydro-2h-pyridin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular Mass 348.441 g·mol−1
Heat of Formation 215.0 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 435.24 Å 3
Surface Area 373.77 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazolo(4,3-a)pyridin-3(2h)-one, 2-(3-(3,6-dihydro-4-(2-methylphenyl)-1(2h)-pyridinyl)propyl)-
  • 2-(3-(1,2,3,6-tetrahydro)-4-(2-(methylphenyl)pyridin-1-yl)propyl)-1,2,4-triazolo(4,3-a)pyridin-3-(2h)-one
  • sch 30497
  • sch-30497
CAS Number(s)
  • 83674-78-6
InChIKey CBGKILSZODNVIP-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N