1-hydroxy-2-imino-7H-purin-6-amine

C5H6N6O — CID 135502464

IUPAC1-hydroxy-2-imino-7H-purin-6-amine
SMILES[H]/N=c1\nc2nc[nH]c2c(N)n1O
InChIInChI=1S/C5H6N6O/c6-3-2-4(9-1-8-2)10-5(7)11(3)12/h1,12H,6H2,(H2,7,8,9,10)
InChIKeyPDIWTEAIDFXDOC-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.94
Rot. Bonds

About 1-hydroxy-2-imino-7H-purin-6-amine

1-hydroxy-2-imino-7H-purin-6-amine (PubChem CID 135502464) has the molecular formula C5H6N6O and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-hydroxy-2-imino-7H-purin-6-amine.

Molecular Properties

Compound Name1-hydroxy-2-imino-7H-purin-6-amine
PubChem CID135502464
Molecular FormulaC5H6N6O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name1-hydroxy-2-imino-7H-purin-6-amine
SMILES[H]/N=c1\nc2nc[nH]c2c(N)n1O
InChIInChI=1S/C5H6N6O/c6-3-2-4(9-1-8-2)10-5(7)11(3)12/h1,12H,6H2,(H2,7,8,9,10)
InChIKeyPDIWTEAIDFXDOC-UHFFFAOYSA-N
XLogP-0.94
TPSA116.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-hydroxy-2-imino-7H-purin-6-amine?
The IUPAC name of 1-hydroxy-2-imino-7H-purin-6-amine (CID 135502464) is 1-hydroxy-2-imino-7H-purin-6-amine.
What is the SMILES notation for 1-hydroxy-2-imino-7H-purin-6-amine?
The canonical SMILES for 1-hydroxy-2-imino-7H-purin-6-amine is [H]/N=c1\nc2nc[nH]c2c(N)n1O.
What is the InChIKey of 1-hydroxy-2-imino-7H-purin-6-amine?
The InChIKey is PDIWTEAIDFXDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O/c6-3-2-4(9-1-8-2)10-5(7)11(3)12/h1,12H,6H2,(H2,7,8,9,10).
What are the key properties of 1-hydroxy-2-imino-7H-purin-6-amine?
1-hydroxy-2-imino-7H-purin-6-amine has a molecular weight of 166.14 g/mol, XLogP of -0.94, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-imino-7H-purin-6-amine is sourced from PubChem (CID 135502464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).