chempirical

Allopurinol

C5H4N4OCAS 315-30-0136.11 g/mol

Open in Covalent MOL file
OHNNNHN
Phenol

Properties

Molecular formula
C5H4N4O
Molar mass
136.11 g/mol
Exact mass
136.0385 Da
Melting point
above 350 °C
logP
0.06Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
315-30-0
SMILES
Oc1ncnc2n[nH]cc12
InChIKey
OFCNXPDARWKPPY-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

69 names · show all
  • 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-
  • 1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  • BW 56-158
  • HPP
  • Zyloprim
  • Zyloric
  • 4-Hydroxypyrazolo[3,4-d]pyrimidine
  • Allopurinol(I)
  • Milurit
  • 1H-Pyrazolo[3,4-d]pyrimidin-4-ol
  • 4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine
  • Bloxanth
  • Foligan
  • Epidropal
  • Uricemil
  • Urosin
  • Allopur
  • Uriprim
  • Atisuril
  • Gotax
  • Gichtex
  • 4-Oxopyrazolo[3,4-d]pyrimidine
  • Sllo-puren
  • Cellidrin
  • Cosuric
  • Caplenal
  • Ketanrift
  • Monarch
  • BW 15658
  • Riball
  • Anoprolin
  • Alositol
  • Urtias
  • NSC 1390
  • Bleminol
  • Ketobun A
  • Suspendol
  • Hexanurat
  • Uripurinol
  • Takanarumin
  • Lysuron
  • Urobenyl
  • Nektrohan
  • Urbol
  • Allurtal
  • Xanturat
  • Geapur
  • Lopurin
  • Dabroson
  • Anzief
  • Miniplanor
  • Apurol
  • Sigapurol
  • Apurin
  • Remid
  • Allozym
  • Hamarin
  • Aloral
  • Ledopur
  • Embarin
  • Adenock
  • Apulonga
  • NSC 101655
  • 1,5-Dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one
  • Aloprim
  • Alopurinol
  • 1H,4H,7H-Pyrazolo[3,4-d]pyrimidin-4-one
  • 1H,4H,5H-Pyrazolo[3,4-d]pyrimidin-4-one
  • 1H-Pyrazolo[3,4-d]pyrimidin-4(5H)-one

Work with Allopurinol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Deazahypoxanthine3680-71-542 % similar Quinazolinone491-36-139 % similar 5-Fluoropyrimidine-4,6-diol106615-61-637 % similar 6-Iodo-4(3H)-quinazolinone16064-08-734 % similar 7-Fluoroquinazolin-4(3H)-one16499-57-334 % similar 3,6-Dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one2683-90-133 % similar 6-Hydroxy-7-methoxy-4(3H)-quinazolinone179688-52-931 % similar 1,5-Dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one21314-17-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Hydroxy-7-azabenzotriazole39968-33-7 4-Cyano-1H-imidazole-5-carboxamide5372-23-6 Hypoxanthine68-94-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook