5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene

C13H18N2 — CID 91271745

IUPAC5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene
SMILESC1=CCC2C(=C1)CCCC1N=NCCC12
InChIInChI=1S/C13H18N2/c1-2-6-11-10(4-1)5-3-7-13-12(11)8-9-14-15-13/h1-2,4,11-13H,3,5-9H2
InChIKeyOIEHKGHSNAVSNP-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.51
Rot. Bonds

About 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene

5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene (PubChem CID 91271745) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene.

Molecular Properties

Compound Name5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene
PubChem CID91271745
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene
SMILESC1=CCC2C(=C1)CCCC1N=NCCC12
InChIInChI=1S/C13H18N2/c1-2-6-11-10(4-1)5-3-7-13-12(11)8-9-14-15-13/h1-2,4,11-13H,3,5-9H2
InChIKeyOIEHKGHSNAVSNP-UHFFFAOYSA-N
XLogP3.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-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 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene?
The IUPAC name of 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene (CID 91271745) is 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene.
What is the SMILES notation for 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene?
The canonical SMILES for 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene is C1=CCC2C(=C1)CCCC1N=NCCC12.
What is the InChIKey of 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene?
The InChIKey is OIEHKGHSNAVSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-6-11-10(4-1)5-3-7-13-12(11)8-9-14-15-13/h1-2,4,11-13H,3,5-9H2.
What are the key properties of 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene?
5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene has a molecular weight of 202.30 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diazatricyclo[9.4.0.02,7]pentadeca-5,11,13-triene is sourced from PubChem (CID 91271745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).