2H-Pyrazolo[4,3-D]Pyrimidin-7-Ol

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Properties Simple | Detailed

Formula C5H4N4O
IUPAC Name 4h-pyrazolo[4,3-d]pyrimidin-6-ium-7-one
Molecular Mass 136.111 g·mol−1
Heat of Formation 159.3 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 143.5 Å 3
Surface Area 149.73 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,4-dihydropyrazolo[3,4-e]pyrimidin-7-one
  • 1h-pyrazolo(4,3-d)pyrimidin-7-ol (8ci)
  • 1h-pyrazolo(4,3-d)pyrimidine-7-one
  • 1h-pyrazolo[4,3-d]pyrimidin-7-ol
  • 7-hydroxy-pyrazolo[4,3-d]pyrimidine
  • 7-hydroxypyrazolo(4,3-d)pyrimidine
  • 7-hydroxypyrazolo[4,3-d]pyrimidine
  • 7-ketopyrazolo(4,3-d)pyrimidine
  • 7h-purin-6-ol
  • 7h-pyrazolo(4,3-d)pyrimidin-7-one, 1,4-dihydro-
  • 7h-pyrazolo[4,3-d]pyrimidin-7-one, 1,4-dihydro-
  • 7hp
  • allopurinol (jp15/usp/inn)
  • d00224
CAS Number(s)
  • 13877-55-9
InChIKey JFZSDNLQDTYVEE-UHFFFAOYSA-N
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