Allopurinol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 340
Total Number of Articles : 662
PubChem 135401907
Molecular Formula

C5H4N4O

SMILES

C1=NNC2=C1C(=O)NC=N2

InChI

InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)

synonyms
  • allopurinol
  • 315-30-0
  • 1H-Pyrazolo[3,4-d]pyrimidin-4-ol
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Properties
Property Value
MW 136.11 g/mol
HBD 2
HBA 3
Rotatable Bond Count 0
Exact Mass 136.03851076 g/mol
Monoisotopic Mass 136.03851076 g/mol
Heavy Atom Count 10
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 190
xlogp -0.7
Topological Polar Surface Area 70.1