2-{3-[4-(3-Chlorophenyl)-1-Piperazinyl]Propyl}-5,6,7,8-Tetrahydro[1,2,4]Triazolo[4,3-A]Pyridin-3(2H)-One

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Formula C19H26ClN5O
IUPAC Name 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-2,4-diium-3-one
Molecular Mass 375.896 g·mol−1
Heat of Formation 34.0 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 451.54 Å 3
Surface Area 389.11 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazolo(4,3-a)pyridin-3(2h)-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5,6,7,8-tetrahydro-
  • 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,5-a]pyridin-3-one
  • 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,5-a]pyridin-3-one
  • 5,6,7,8-tetrahydrotrazodone
CAS Number(s)
  • 86227-20-5
InChIKey VAKWYNHUVWNXMZ-UHFFFAOYSA-N
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Elements H C N O Cl