7-oxidoimidazo[1,5-a]pyrazin-7-ium

C6H5N3O — CID 76849753

IUPAC7-oxidoimidazo[1,5-a]pyrazin-7-ium
SMILES[O-][n+]1ccn2cncc2c1
InChIInChI=1S/C6H5N3O/c10-9-2-1-8-5-7-3-6(8)4-9/h1-5H
InChIKeyPXFUMRQYBRZLNO-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.03
Rot. Bonds

About 7-oxidoimidazo[1,5-a]pyrazin-7-ium

7-oxidoimidazo[1,5-a]pyrazin-7-ium (PubChem CID 76849753) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 7-oxidoimidazo[1,5-a]pyrazin-7-ium.

Molecular Properties

Compound Name7-oxidoimidazo[1,5-a]pyrazin-7-ium
PubChem CID76849753
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name7-oxidoimidazo[1,5-a]pyrazin-7-ium
SMILES[O-][n+]1ccn2cncc2c1
InChIInChI=1S/C6H5N3O/c10-9-2-1-8-5-7-3-6(8)4-9/h1-5H
InChIKeyPXFUMRQYBRZLNO-UHFFFAOYSA-N
XLogP-0.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-oxidoimidazo[1,5-a]pyrazin-7-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-oxidoimidazo[1,5-a]pyrazin-7-ium?
The IUPAC name of 7-oxidoimidazo[1,5-a]pyrazin-7-ium (CID 76849753) is 7-oxidoimidazo[1,5-a]pyrazin-7-ium.
What is the SMILES notation for 7-oxidoimidazo[1,5-a]pyrazin-7-ium?
The canonical SMILES for 7-oxidoimidazo[1,5-a]pyrazin-7-ium is [O-][n+]1ccn2cncc2c1.
What is the InChIKey of 7-oxidoimidazo[1,5-a]pyrazin-7-ium?
The InChIKey is PXFUMRQYBRZLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-9-2-1-8-5-7-3-6(8)4-9/h1-5H.
What are the key properties of 7-oxidoimidazo[1,5-a]pyrazin-7-ium?
7-oxidoimidazo[1,5-a]pyrazin-7-ium has a molecular weight of 135.13 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxidoimidazo[1,5-a]pyrazin-7-ium is sourced from PubChem (CID 76849753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).