1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione

C10H6N2O2 — CID 10241527

IUPAC1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
SMILESO=c1c2cccn2c(=O)c2cccn12
InChIInChI=1S/C10H6N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h1-6H
InChIKeyUSCZWOZHDDOBHQ-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.35
Rot. Bonds

About 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione

1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione (PubChem CID 10241527) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione.

Molecular Properties

Compound Name1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
PubChem CID10241527
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
SMILESO=c1c2cccn2c(=O)c2cccn12
InChIInChI=1S/C10H6N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h1-6H
InChIKeyUSCZWOZHDDOBHQ-UHFFFAOYSA-N
XLogP0.35
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione 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 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione?
The IUPAC name of 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione (CID 10241527) is 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione.
What is the SMILES notation for 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione?
The canonical SMILES for 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione is O=c1c2cccn2c(=O)c2cccn12.
What is the InChIKey of 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione?
The InChIKey is USCZWOZHDDOBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h1-6H.
What are the key properties of 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione?
1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione has a molecular weight of 186.17 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione is sourced from PubChem (CID 10241527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).