3H-1,2,3-Triazolo[4,5-D]Pyrimidine-5,7-Diol

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Properties Simple | Detailed

Formula C4H3N5O2
IUPAC Name 2,3-dihydrotriazolo[4,5-d]pyrimidine-5,7-dione
Molecular Mass 153.099 g·mol−1
Heat of Formation 71.0 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 150.5 Å 3
Surface Area 156.7 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,3-triazolo(4,5-d)pyrimidine-5,7(4h,6h)-dione
  • 1h-1,2,3-triazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione
  • 1h-v-triazolo(4,5-d)pyrimidine-5,7(4h,6h)-dione
  • 1h-v-triazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione
  • 2,3-dihydro-[1,2,3]triazolo[4,5-e]pyrimidine-5,7-dione
  • 2,3-dihydrotriazolo[4,5-e]pyrimidine-5,7-dione
  • 2,3-dihydrotriazolo[4,5-e]pyrimidine-5,7-quinone
  • 2,6-dihydroxy-8-azapurine
  • 2,6-dioxy-8-azapurine
  • 8-azaxanthine
  • 8-azaxanthine monohydrate
  • aza
  • azaxanthine
  • usaf cb-26
  • v-triazolo(4,5-d)pyrimidine-5,7-diol
  • v-triazolo(4,5-d)pyrimidine-5,7-diol (van)
  • v-triazolo[4,5-d]pyrimidine-5,7-diol
  • xanthazol
CAS Number(s)
  • 1468-26-4
  • 19344-24-2
InChIKey KVGVQTOQSNJTJI-UHFFFAOYSA-N
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