5-[1-(2-Fluoro-3-Pyridinyl)-5-Methyl-1H-1,2,3-Triazol-4-Yl]-2-Propyl-1-Isoindolinone

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Properties Simple | Detailed

Formula C19H21FN5O
IUPAC Name 5-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-2-propyl-3h-isoindol-1-one
Molecular Mass 354.401 g·mol−1
Heat of Formation 130.6 ± 16.7 kJ·mol−1
Dipole Moment 10.12 ± 1.08 D
Volume 409.86 Å 3
Surface Area 359.51 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[1-(2-fluoro-3-pyridyl)-5-methyl-4-triazolyl]-2-propyl-1-isoindolinone
  • 5-[1-(2-fluoro-3-pyridyl)-5-methyl-triazol-4-yl]-2-propyl-isoindolin-1-one
  • 5-[1-(2-fluoropyridin-3-yl)-5-methyl-1,2,3-triazol-4-yl]-2-propyl-3h-isoindol-1-one
InChIKey NYDVTBHNZHBCKX-UHFFFAOYSA-N
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