6-oxo-1,7-dihydropurine-8-diazonium

C5H3N6O+ — CID 135426536

IUPAC6-oxo-1,7-dihydropurine-8-diazonium
SMILESN#[N+]c1nc2nc[nH]c(=O)c2[nH]1
InChIInChI=1S/C5H2N6O/c6-11-5-9-2-3(10-5)7-1-8-4(2)12/h1,6H/p+1
InChIKeyFPUHXOALOZPZQS-UHFFFAOYSA-O
MW163.12 g/mol
LogP0.13
Rot. Bonds

About 6-oxo-1,7-dihydropurine-8-diazonium

6-oxo-1,7-dihydropurine-8-diazonium (PubChem CID 135426536) has the molecular formula C5H3N6O+ and a molecular weight of 163.12 g/mol. Its IUPAC name is 6-oxo-1,7-dihydropurine-8-diazonium.

Molecular Properties

Compound Name6-oxo-1,7-dihydropurine-8-diazonium
PubChem CID135426536
Molecular FormulaC5H3N6O+
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name6-oxo-1,7-dihydropurine-8-diazonium
SMILESN#[N+]c1nc2nc[nH]c(=O)c2[nH]1
InChIInChI=1S/C5H2N6O/c6-11-5-9-2-3(10-5)7-1-8-4(2)12/h1,6H/p+1
InChIKeyFPUHXOALOZPZQS-UHFFFAOYSA-O
XLogP0.13
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1,7-dihydropurine-8-diazonium?
The IUPAC name of 6-oxo-1,7-dihydropurine-8-diazonium (CID 135426536) is 6-oxo-1,7-dihydropurine-8-diazonium.
What is the SMILES notation for 6-oxo-1,7-dihydropurine-8-diazonium?
The canonical SMILES for 6-oxo-1,7-dihydropurine-8-diazonium is N#[N+]c1nc2nc[nH]c(=O)c2[nH]1.
What is the InChIKey of 6-oxo-1,7-dihydropurine-8-diazonium?
The InChIKey is FPUHXOALOZPZQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H2N6O/c6-11-5-9-2-3(10-5)7-1-8-4(2)12/h1,6H/p+1.
What are the key properties of 6-oxo-1,7-dihydropurine-8-diazonium?
6-oxo-1,7-dihydropurine-8-diazonium has a molecular weight of 163.12 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1,7-dihydropurine-8-diazonium is sourced from PubChem (CID 135426536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).