8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene

C6H4N2Se — CID 3003350

IUPAC8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESc1ccc2c(c1)n1[se]n21
InChIInChI=1S/C6H4N2Se/c1-2-4-6-5(3-1)7-8(6)9-7/h1-4H
InChIKeyVKSBAHRGKCMXOC-UHFFFAOYSA-N
MW183.07 g/mol
LogP0.69
Rot. Bonds

About 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene

8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene (PubChem CID 3003350) has the molecular formula C6H4N2Se and a molecular weight of 183.07 g/mol. Its IUPAC name is 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene.

Molecular Properties

Compound Name8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
PubChem CID3003350
Molecular FormulaC6H4N2Se
Molecular Weight183.07 g/mol
Exact Mass183.95
IUPAC Name8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESc1ccc2c(c1)n1[se]n21
InChIInChI=1S/C6H4N2Se/c1-2-4-6-5(3-1)7-8(6)9-7/h1-4H
InChIKeyVKSBAHRGKCMXOC-UHFFFAOYSA-N
XLogP0.69
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.07
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-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 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The IUPAC name of 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene (CID 3003350) is 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene.
What is the SMILES notation for 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The canonical SMILES for 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene is c1ccc2c(c1)n1[se]n21.
What is the InChIKey of 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The InChIKey is VKSBAHRGKCMXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2Se/c1-2-4-6-5(3-1)7-8(6)9-7/h1-4H.
What are the key properties of 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene has a molecular weight of 183.07 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene is sourced from PubChem (CID 3003350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).