4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene

C11H17N3 — CID 67470355

IUPAC4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene
SMILESC1=CC2CNCC3CNCC3C2N=C1
InChIInChI=1S/C11H17N3/c1-2-8-4-12-5-9-6-13-7-10(9)11(8)14-3-1/h1-3,8-13H,4-7H2
InChIKeyYIFGPRKBJIJTGV-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.05
Rot. Bonds

About 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene

4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene (PubChem CID 67470355) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene.

Molecular Properties

Compound Name4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene
PubChem CID67470355
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene
SMILESC1=CC2CNCC3CNCC3C2N=C1
InChIInChI=1S/C11H17N3/c1-2-8-4-12-5-9-6-13-7-10(9)11(8)14-3-1/h1-3,8-13H,4-7H2
InChIKeyYIFGPRKBJIJTGV-UHFFFAOYSA-N
XLogP0.05
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene 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 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene?
The IUPAC name of 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene (CID 67470355) is 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene.
What is the SMILES notation for 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene?
The canonical SMILES for 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene is C1=CC2CNCC3CNCC3C2N=C1.
What is the InChIKey of 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene?
The InChIKey is YIFGPRKBJIJTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-8-4-12-5-9-6-13-7-10(9)11(8)14-3-1/h1-3,8-13H,4-7H2.
What are the key properties of 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene?
4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene has a molecular weight of 191.28 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-11,13-diene is sourced from PubChem (CID 67470355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).