2-{3-[4-(2-Quinolinyl)-1-Piperazinyl]Propyl}[1,2,4]Triazolo[4,3-A]Pyridin-3(2H)-One

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Properties Simple | Detailed

Formula C22H24N6O
IUPAC Name 2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,5-a]pyridin-3-one
Molecular Mass 388.466 g·mol−1
Heat of Formation 347.8 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 464.27 Å 3
Surface Area 409.13 Å 2
HOMO Energy -8.39 ± 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-(4-(2-quinolinyl)-1-piperazinyl)propyl)-
  • 2-(3-(4-(2-quinolyl))-1-piperazinyl)propyl-1,2,4-triazolo(4,3-a)pyridin-3(2h)-one
  • 2-(3-(4-(2-quinolyl)-1-piperazinyl)propyl)-1,2,4-triazolo(4,3-a)pyridin-3(2h)-one
  • 2-[3-[4-(2-quinolyl)-1-piperazinyl]propyl]-[1,2,4]triazolo[4,5-a]pyridin-3-one
  • 2-[3-[4-(2-quinolyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,5-a]pyridin-3-one
CAS Number(s)
  • 139477-46-6
InChIKey SPTHERJMPORMKM-UHFFFAOYSA-N
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