9-hydroxy-7H-purin-8-one

C5H4N4O2 — CID 57358895

IUPAC9-hydroxy-7H-purin-8-one
SMILESO=c1[nH]c2cncnc2n1O
InChIInChI=1S/C5H4N4O2/c10-5-8-3-1-6-2-7-4(3)9(5)11/h1-2,11H,(H,8,10)
InChIKeyKSAYHOHHKARHRL-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.64
Rot. Bonds

About 9-hydroxy-7H-purin-8-one

9-hydroxy-7H-purin-8-one (PubChem CID 57358895) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 9-hydroxy-7H-purin-8-one.

Molecular Properties

Compound Name9-hydroxy-7H-purin-8-one
PubChem CID57358895
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name9-hydroxy-7H-purin-8-one
SMILESO=c1[nH]c2cncnc2n1O
InChIInChI=1S/C5H4N4O2/c10-5-8-3-1-6-2-7-4(3)9(5)11/h1-2,11H,(H,8,10)
InChIKeyKSAYHOHHKARHRL-UHFFFAOYSA-N
XLogP-0.64
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-7H-purin-8-one?
The IUPAC name of 9-hydroxy-7H-purin-8-one (CID 57358895) is 9-hydroxy-7H-purin-8-one.
What is the SMILES notation for 9-hydroxy-7H-purin-8-one?
The canonical SMILES for 9-hydroxy-7H-purin-8-one is O=c1[nH]c2cncnc2n1O.
What is the InChIKey of 9-hydroxy-7H-purin-8-one?
The InChIKey is KSAYHOHHKARHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c10-5-8-3-1-6-2-7-4(3)9(5)11/h1-2,11H,(H,8,10).
What are the key properties of 9-hydroxy-7H-purin-8-one?
9-hydroxy-7H-purin-8-one has a molecular weight of 152.11 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-7H-purin-8-one is sourced from PubChem (CID 57358895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).