1,4-dihydro-1,4-azaborinine

C4H6BN — CID 59583175

IUPAC1,4-dihydro-1,4-azaborinine
SMILESB1C=CNC=C1
InChIInChI=1S/C4H6BN/c1-3-6-4-2-5-1/h1-6H
InChIKeyIRIOQXGBJQMWSB-UHFFFAOYSA-N
MW78.91 g/mol
LogP-0.03
Rot. Bonds

About 1,4-dihydro-1,4-azaborinine

1,4-dihydro-1,4-azaborinine (PubChem CID 59583175) has the molecular formula C4H6BN and a molecular weight of 78.91 g/mol. Its IUPAC name is 1,4-dihydro-1,4-azaborinine.

Molecular Properties

Compound Name1,4-dihydro-1,4-azaborinine
PubChem CID59583175
Molecular FormulaC4H6BN
Molecular Weight78.91 g/mol
Exact Mass79.06
IUPAC Name1,4-dihydro-1,4-azaborinine
SMILESB1C=CNC=C1
InChIInChI=1S/C4H6BN/c1-3-6-4-2-5-1/h1-6H
InChIKeyIRIOQXGBJQMWSB-UHFFFAOYSA-N
XLogP-0.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.91
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,4-dihydro-1,4-azaborinine 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 1,4-dihydro-1,4-azaborinine?
The IUPAC name of 1,4-dihydro-1,4-azaborinine (CID 59583175) is 1,4-dihydro-1,4-azaborinine.
What is the SMILES notation for 1,4-dihydro-1,4-azaborinine?
The canonical SMILES for 1,4-dihydro-1,4-azaborinine is B1C=CNC=C1.
What is the InChIKey of 1,4-dihydro-1,4-azaborinine?
The InChIKey is IRIOQXGBJQMWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BN/c1-3-6-4-2-5-1/h1-6H.
What are the key properties of 1,4-dihydro-1,4-azaborinine?
1,4-dihydro-1,4-azaborinine has a molecular weight of 78.91 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydro-1,4-azaborinine is sourced from PubChem (CID 59583175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).