1-azonia-3-boranuidacyclohexa-2,4,6-triene

C4H6BN — CID 59583183

IUPAC1-azonia-3-boranuidacyclohexa-2,4,6-triene
SMILES[bH-]1ccc[nH+]c1
InChIInChI=1S/C4H5BN/c1-2-5-4-6-3-1/h1-5H/q-1/p+1
InChIKeyUSBKBYJIRFLTFD-UHFFFAOYSA-O
MW78.91 g/mol
LogP-0.43
Rot. Bonds

About 1-azonia-3-boranuidacyclohexa-2,4,6-triene

1-azonia-3-boranuidacyclohexa-2,4,6-triene (PubChem CID 59583183) has the molecular formula C4H6BN and a molecular weight of 78.91 g/mol. Its IUPAC name is 1-azonia-3-boranuidacyclohexa-2,4,6-triene.

Molecular Properties

Compound Name1-azonia-3-boranuidacyclohexa-2,4,6-triene
PubChem CID59583183
Molecular FormulaC4H6BN
Molecular Weight78.91 g/mol
Exact Mass79.06
IUPAC Name1-azonia-3-boranuidacyclohexa-2,4,6-triene
SMILES[bH-]1ccc[nH+]c1
InChIInChI=1S/C4H5BN/c1-2-5-4-6-3-1/h1-5H/q-1/p+1
InChIKeyUSBKBYJIRFLTFD-UHFFFAOYSA-O
XLogP-0.43
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.91
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-azonia-3-boranuidacyclohexa-2,4,6-triene 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-azonia-3-boranuidacyclohexa-2,4,6-triene?
The IUPAC name of 1-azonia-3-boranuidacyclohexa-2,4,6-triene (CID 59583183) is 1-azonia-3-boranuidacyclohexa-2,4,6-triene.
What is the SMILES notation for 1-azonia-3-boranuidacyclohexa-2,4,6-triene?
The canonical SMILES for 1-azonia-3-boranuidacyclohexa-2,4,6-triene is [bH-]1ccc[nH+]c1.
What is the InChIKey of 1-azonia-3-boranuidacyclohexa-2,4,6-triene?
The InChIKey is USBKBYJIRFLTFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H5BN/c1-2-5-4-6-3-1/h1-5H/q-1/p+1.
What are the key properties of 1-azonia-3-boranuidacyclohexa-2,4,6-triene?
1-azonia-3-boranuidacyclohexa-2,4,6-triene has a molecular weight of 78.91 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azonia-3-boranuidacyclohexa-2,4,6-triene is sourced from PubChem (CID 59583183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).