1,2-Diazaindolizine

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Properties Simple | Detailed

Formula C6H6N3+
IUPAC Name 5h-[1,2,4]triazolo[4,3-a]pyridin-4-ium-5-ylium
Molecular Mass 120.132 g·mol−1
Heat of Formation 328.7 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 138.9 Å 3
Surface Area 145.22 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,3a-triazaindene
  • 1,2,4-triazolo[4,3-a]pyridine
  • [1,2,4]triazolo[4,3-a]pyridine
  • pyrido[2,1-c]-1,2,4-triazole
  • pyrido[2,1-c]-s-triazole
  • s-triazolo[4,3-a]pyridine
CAS Number(s)
  • 274-80-6
InChIKey AYSYSOQSKKDJJY-UHFFFAOYSA-N
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Elements H C N