4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene

C10H9N — CID 121456152

IUPAC4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene
SMILESC1=CC23C=CC(=CC2C=N1)C3
InChIInChI=1S/C10H9N/c1-2-10-3-4-11-7-9(10)5-8(1)6-10/h1-5,7,9H,6H2
InChIKeyNCVRTIARNVYGKD-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.09
Rot. Bonds

About 4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene

4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene (PubChem CID 121456152) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene.

Molecular Properties

Compound Name4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene
PubChem CID121456152
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene
SMILESC1=CC23C=CC(=CC2C=N1)C3
InChIInChI=1S/C10H9N/c1-2-10-3-4-11-7-9(10)5-8(1)6-10/h1-5,7,9H,6H2
InChIKeyNCVRTIARNVYGKD-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene 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-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene?
The IUPAC name of 4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene (CID 121456152) is 4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene.
What is the SMILES notation for 4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene?
The canonical SMILES for 4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene is C1=CC23C=CC(=CC2C=N1)C3.
What is the InChIKey of 4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene?
The InChIKey is NCVRTIARNVYGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-10-3-4-11-7-9(10)5-8(1)6-10/h1-5,7,9H,6H2.
What are the key properties of 4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene?
4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene has a molecular weight of 143.19 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene is sourced from PubChem (CID 121456152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).