1-hydroxypurine

C5H4N4O — CID 11367017

IUPAC1-hydroxypurine
SMILESOn1cnc2ncnc-2c1
InChIInChI=1S/C5H4N4O/c10-9-1-4-5(8-3-9)7-2-6-4/h1-3,10H
InChIKeyTUUQUSLFBYMDFB-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.02
Rot. Bonds

About 1-hydroxypurine

1-hydroxypurine (PubChem CID 11367017) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 1-hydroxypurine.

Molecular Properties

Compound Name1-hydroxypurine
PubChem CID11367017
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name1-hydroxypurine
SMILESOn1cnc2ncnc-2c1
InChIInChI=1S/C5H4N4O/c10-9-1-4-5(8-3-9)7-2-6-4/h1-3,10H
InChIKeyTUUQUSLFBYMDFB-UHFFFAOYSA-N
XLogP0.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.02
H-Bond Donors ≤ 51
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 1-hydroxypurine?
The IUPAC name of 1-hydroxypurine (CID 11367017) is 1-hydroxypurine.
What is the SMILES notation for 1-hydroxypurine?
The canonical SMILES for 1-hydroxypurine is On1cnc2ncnc-2c1.
What is the InChIKey of 1-hydroxypurine?
The InChIKey is TUUQUSLFBYMDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c10-9-1-4-5(8-3-9)7-2-6-4/h1-3,10H.
What are the key properties of 1-hydroxypurine?
1-hydroxypurine has a molecular weight of 136.11 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypurine is sourced from PubChem (CID 11367017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).