8-oxo-7H-purine-9-carboxamide

C6H5N5O2 — CID 90956455

IUPAC8-oxo-7H-purine-9-carboxamide
SMILESNC(=O)n1c(=O)[nH]c2cncnc21
InChIInChI=1S/C6H5N5O2/c7-5(12)11-4-3(10-6(11)13)1-8-2-9-4/h1-2H,(H2,7,12)(H,10,13)
InChIKeyHQYLNDZXQVAODU-UHFFFAOYSA-N
MW179.14 g/mol
LogP-0.95
Rot. Bonds

About 8-oxo-7H-purine-9-carboxamide

8-oxo-7H-purine-9-carboxamide (PubChem CID 90956455) has the molecular formula C6H5N5O2 and a molecular weight of 179.14 g/mol. Its IUPAC name is 8-oxo-7H-purine-9-carboxamide.

Molecular Properties

Compound Name8-oxo-7H-purine-9-carboxamide
PubChem CID90956455
Molecular FormulaC6H5N5O2
Molecular Weight179.14 g/mol
Exact Mass179.04
IUPAC Name8-oxo-7H-purine-9-carboxamide
SMILESNC(=O)n1c(=O)[nH]c2cncnc21
InChIInChI=1S/C6H5N5O2/c7-5(12)11-4-3(10-6(11)13)1-8-2-9-4/h1-2H,(H2,7,12)(H,10,13)
InChIKeyHQYLNDZXQVAODU-UHFFFAOYSA-N
XLogP-0.95
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-7H-purine-9-carboxamide?
The IUPAC name of 8-oxo-7H-purine-9-carboxamide (CID 90956455) is 8-oxo-7H-purine-9-carboxamide.
What is the SMILES notation for 8-oxo-7H-purine-9-carboxamide?
The canonical SMILES for 8-oxo-7H-purine-9-carboxamide is NC(=O)n1c(=O)[nH]c2cncnc21.
What is the InChIKey of 8-oxo-7H-purine-9-carboxamide?
The InChIKey is HQYLNDZXQVAODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2/c7-5(12)11-4-3(10-6(11)13)1-8-2-9-4/h1-2H,(H2,7,12)(H,10,13).
What are the key properties of 8-oxo-7H-purine-9-carboxamide?
8-oxo-7H-purine-9-carboxamide has a molecular weight of 179.14 g/mol, XLogP of -0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-7H-purine-9-carboxamide is sourced from PubChem (CID 90956455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).