Triazolopyrimidine

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Properties Simple | Detailed

Formula C4H3N5
IUPAC Name 2h-triazolo[4,5-d]pyrimidine
Molecular Mass 121.100 g·mol−1
Heat of Formation 476.1 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 127.51 Å 3
Surface Area 136.31 Å 2
HOMO Energy -10.58 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-1,2,3-triazolo(4,5-d)pyrimidine
  • 2h-[1,2,3]triazolo[4,5-d]pyrimidine
  • 8-azapurine
CAS Number(s)
  • 273-40-5
InChIKey GIIGHSIIKVOWKZ-UHFFFAOYSA-N
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Elements H C N