1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene

C11H9N3 — CID 91314311

IUPAC1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene
SMILESC1=CC2=CN3C=CC=NC3=CN2C=C1
InChIInChI=1S/C11H9N3/c1-2-6-13-9-11-12-5-3-7-14(11)8-10(13)4-1/h1-9H
InChIKeyLJTNLCKEWRVPRG-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.93
Rot. Bonds

About 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene

1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene (PubChem CID 91314311) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene
PubChem CID91314311
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene
SMILESC1=CC2=CN3C=CC=NC3=CN2C=C1
InChIInChI=1S/C11H9N3/c1-2-6-13-9-11-12-5-3-7-14(11)8-10(13)4-1/h1-9H
InChIKeyLJTNLCKEWRVPRG-UHFFFAOYSA-N
XLogP1.93
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene 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 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene?
The IUPAC name of 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene (CID 91314311) is 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene is C1=CC2=CN3C=CC=NC3=CN2C=C1.
What is the InChIKey of 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene?
The InChIKey is LJTNLCKEWRVPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-6-13-9-11-12-5-3-7-14(11)8-10(13)4-1/h1-9H.
What are the key properties of 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene?
1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene has a molecular weight of 183.21 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 91314311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).