1-hydroxy-7H-purin-6-imine

C5H5N5O — CID 135407691

IUPAC1-hydroxy-7H-purin-6-imine
SMILES[H]/N=c1/c2[nH]cnc2ncn1O
InChIInChI=1S/C5H5N5O/c6-4-3-5(8-1-7-3)9-2-10(4)11/h1-2,6,11H,(H,7,8)/b6-4-
InChIKeyPUJALHQKXFOENF-XQRVVYSFSA-N
MW151.13 g/mol
LogP-0.52
Rot. Bonds

About 1-hydroxy-7H-purin-6-imine

1-hydroxy-7H-purin-6-imine (PubChem CID 135407691) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 1-hydroxy-7H-purin-6-imine.

Molecular Properties

Compound Name1-hydroxy-7H-purin-6-imine
PubChem CID135407691
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name1-hydroxy-7H-purin-6-imine
SMILES[H]/N=c1/c2[nH]cnc2ncn1O
InChIInChI=1S/C5H5N5O/c6-4-3-5(8-1-7-3)9-2-10(4)11/h1-2,6,11H,(H,7,8)/b6-4-
InChIKeyPUJALHQKXFOENF-XQRVVYSFSA-N
XLogP-0.52
TPSA90.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
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-hydroxy-7H-purin-6-imine?
The IUPAC name of 1-hydroxy-7H-purin-6-imine (CID 135407691) is 1-hydroxy-7H-purin-6-imine.
What is the SMILES notation for 1-hydroxy-7H-purin-6-imine?
The canonical SMILES for 1-hydroxy-7H-purin-6-imine is [H]/N=c1/c2[nH]cnc2ncn1O.
What is the InChIKey of 1-hydroxy-7H-purin-6-imine?
The InChIKey is PUJALHQKXFOENF-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H5N5O/c6-4-3-5(8-1-7-3)9-2-10(4)11/h1-2,6,11H,(H,7,8)/b6-4-.
What are the key properties of 1-hydroxy-7H-purin-6-imine?
1-hydroxy-7H-purin-6-imine has a molecular weight of 151.13 g/mol, XLogP of -0.52, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7H-purin-6-imine is sourced from PubChem (CID 135407691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).