4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene

C11H7N3 — CID 151797185

IUPAC4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cnc2c3cncc-3cncc2c1
InChIInChI=1S/C11H7N3/c1-2-8-4-12-5-9-6-13-7-10(9)11(8)14-3-1/h1-7H
InChIKeyRXVPJLKGMDXHRH-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.13
Rot. Bonds

About 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene

4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene (PubChem CID 151797185) has the molecular formula C11H7N3 and a molecular weight of 181.20 g/mol. Its IUPAC name is 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
PubChem CID151797185
Molecular FormulaC11H7N3
Molecular Weight181.20 g/mol
Exact Mass181.06
IUPAC Name4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cnc2c3cncc-3cncc2c1
InChIInChI=1S/C11H7N3/c1-2-8-4-12-5-9-6-13-7-10(9)11(8)14-3-1/h1-7H
InChIKeyRXVPJLKGMDXHRH-UHFFFAOYSA-N
XLogP2.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrido[3,2-h]quinazoline
CID 55297723
1,6-naphthyridin-8-amine
CID 55290958
ethane;1,6-naphthyridin-8-ol
CID 90698310
8-isocyano-1,6-naphthyridine
CID 58972917
1,6-naphthyridine-8-carbaldehyde
CID 53421929
8-(difluoromethyl)-1,6-naphthyridine
CID 163747519
1,6-naphthyridine-8-sulfinic acid
CID 67246302
bis(1,10-phenanthroline);ruthenium
CID 15001085
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
1,10-phenanthroline;samarium
CID 174616745

Frequently Asked Questions

What is the IUPAC name of 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene (CID 151797185) is 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene is c1cnc2c3cncc-3cncc2c1.
What is the InChIKey of 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is RXVPJLKGMDXHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c1-2-8-4-12-5-9-6-13-7-10(9)11(8)14-3-1/h1-7H.
What are the key properties of 4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene?
4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 181.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 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-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 151797185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).