Allopurinol

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Properties Simple | Detailed

Formula C5H4N4O
IUPAC Name 1,2,3,6-tetrahydropyrazolo[3,4-d]pyrimidine-3,3a,5,6,7,7a-hexaid-4-one
Molecular Mass 136.111 g·mol−1
Heat of Formation 231.2 ± 16.7 kJ·mol−1
Dipole Moment 7.70 ± 1.08 D
Volume 143.88 Å 3
Surface Area 149.95 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one
  • 1,5-dihydro-4h-pyrazolo(3,4-d)pyrimidin-4-one
  • 1,5-dihydro-4h-pyrazolo(3,4-d)pyrimidin-4-one (9ci)
  • 1,5-dihydro-4h-pyrazolo(3,4-d)pyrimidine-4-one
  • 1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
  • 1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
  • 1h-pyrazolo(3,4-d)pyrimidin-4-ol
  • 1h-pyrazolo[3,4-d]pyrimidin-4-ol
  • 2-methylpyrimidin-4(3h)-one
  • 4'-hydroxypyrazolol(3,4-d)pyrimidine
  • 4'-hydroxypyrazolol[3,4-d]pyrimidine
  • 4(3h)-pyrimidinone, 2-methyl-
  • 4-hpp
  • 4-hydroxy-1h-pyrazolo(3,4-d)pyrimidine
  • 4-hydroxy-1h-pyrazolo[3,4-d]pyrimidine
  • 4-hydroxy-3,4-pyrazolopyrimidine
  • 4-hydroxypyrazolo(3,4-d)pyrimidine
  • 4-hydroxypyrazolo[3,4-d]pyrimidine
  • 4-hydroxypyrazolopyrimidine
  • 4-hydroxypyrazolyl(3,4-d)pyrimidine
  • 4-hydroxypyrazolyl[3,4-d]pyrimidine
  • 4h-pyrazolo(3,4-d)pyrimidin-4-one
  • 4h-pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-
  • 4h-pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-
  • 4h-pyrazolo[3,4-d]pyrimidin-4-one, 1,7-dihydro-
  • adenock
  • ailural
  • ailurial
  • al-100
  • allo-puren
  • allopur
  • allopurinol (4-hydroxypyrazolo[3,4-d]pyrimidine)
  • allopurinol(i)
  • allozym
  • allural
  • aloprim
  • aloral
  • alositol
  • aluline
  • anoprolin
  • anzief
  • apulonga
  • apurin
  • apurol
  • atisuril
  • b. w. 56-158
  • bb_sc-2992
  • bleminol
  • bloxanth
  • bw 56-158
  • bw 56158
  • bw-56-158
  • caplenal
  • cellidrin
  • cosuric
  • dabrosin
  • dabroson
  • drg-0056
  • dura al
  • embarin
  • epidropal
  • epuric
  • foligan
  • geapur
  • gichtex
  • gotax
  • hamarin
  • hexanuret
  • hpp
  • ketanrift
  • ketobun-a
  • ledopur
  • lopurin
  • lysuron
  • milurit
  • miniplanor
  • monarch
  • nektrohan
  • progout
  • remid
  • riball
  • suspendol
  • takanarumin
  • urbol
  • uricemil
  • uriprim
  • uripurinol
  • urobenyl
  • urolit
  • urosin
  • urtias
  • urtias 100
  • xanturat
  • zyloprim
  • zyloric
CAS Number(s)
  • 22767-92-6
  • 184856-42-6
  • 315-30-0
  • 39464-14-7
InChIKey OFCNXPDARWKPPY-UHFFFAOYSA-N
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