2,3-Dihydro-4H-Imidazo[4,5-D][1,2,3]Triazin-4-One

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Properties Simple | Detailed

Formula C4H3N5O
IUPAC Name 2,3-dihydroimidazo[4,5-e]triazin-4-one
Molecular Mass 137.100 g·mol−1
Heat of Formation 397.0 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 140.42 Å 3
Surface Area 147.26 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-dihydro-4h-imidazo(4,5-d)-1,2,3-triazin-4-one
  • 2,3-dihydroimidazo[4,5-e][1,2,3]triazin-4-one
  • 2-azahypoxanthine
  • 4h-imidazo(4,5-d)-1,2,3-triazin-4-one, 1,5-dihydro- (9ci)
  • 4h-imidazo(4,5-d)-v-triazin-4-one, 3,7-dihydro- (8ci)
  • 4h-imidazo[4,5-d]-1,2,3-triazin-4-one, 1,5-dihydro-
  • 4h-imidazo[4,5-d]-v-triazin-4-one, 3,7-dihydro-
CAS Number(s)
  • 4656-86-4
InChIKey WXKVKFJUCMCVFI-UHFFFAOYSA-N
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