N-hydroxy-4-purin-7-ylbenzamide

C12H9N5O2 — CID 155545502

IUPACN-hydroxy-4-purin-7-ylbenzamide
SMILESO=C(NO)c1ccc(-n2cnc3ncncc32)cc1
InChIInChI=1S/C12H9N5O2/c18-12(16-19)8-1-3-9(4-2-8)17-7-15-11-10(17)5-13-6-14-11/h1-7,19H,(H,16,18)
InChIKeyGGIFZSQBRZDCSN-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.93
Rot. Bonds2

About N-hydroxy-4-purin-7-ylbenzamide

N-hydroxy-4-purin-7-ylbenzamide (PubChem CID 155545502) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-hydroxy-4-purin-7-ylbenzamide.

Molecular Properties

Compound NameN-hydroxy-4-purin-7-ylbenzamide
PubChem CID155545502
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC NameN-hydroxy-4-purin-7-ylbenzamide
SMILESO=C(NO)c1ccc(-n2cnc3ncncc32)cc1
InChIInChI=1S/C12H9N5O2/c18-12(16-19)8-1-3-9(4-2-8)17-7-15-11-10(17)5-13-6-14-11/h1-7,19H,(H,16,18)
InChIKeyGGIFZSQBRZDCSN-UHFFFAOYSA-N
XLogP0.93
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-purin-7-ylbenzamide?
The IUPAC name of N-hydroxy-4-purin-7-ylbenzamide (CID 155545502) is N-hydroxy-4-purin-7-ylbenzamide.
What is the SMILES notation for N-hydroxy-4-purin-7-ylbenzamide?
The canonical SMILES for N-hydroxy-4-purin-7-ylbenzamide is O=C(NO)c1ccc(-n2cnc3ncncc32)cc1.
What is the InChIKey of N-hydroxy-4-purin-7-ylbenzamide?
The InChIKey is GGIFZSQBRZDCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c18-12(16-19)8-1-3-9(4-2-8)17-7-15-11-10(17)5-13-6-14-11/h1-7,19H,(H,16,18).
What are the key properties of N-hydroxy-4-purin-7-ylbenzamide?
N-hydroxy-4-purin-7-ylbenzamide has a molecular weight of 255.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-purin-7-ylbenzamide is sourced from PubChem (CID 155545502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).