1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione

C10H11N3O2 — CID 91027710

IUPAC1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione
SMILESO=C1NCCn2c3c([nH]c2=O)C=CCC13
InChIInChI=1S/C10H11N3O2/c14-9-6-2-1-3-7-8(6)13(5-4-11-9)10(15)12-7/h1,3,6H,2,4-5H2,(H,11,14)(H,12,15)
InChIKeyYSZYYNVVGPQZQI-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.19
Rot. Bonds

About 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione

1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione (PubChem CID 91027710) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione.

Molecular Properties

Compound Name1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione
PubChem CID91027710
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione
SMILESO=C1NCCn2c3c([nH]c2=O)C=CCC13
InChIInChI=1S/C10H11N3O2/c14-9-6-2-1-3-7-8(6)13(5-4-11-9)10(15)12-7/h1,3,6H,2,4-5H2,(H,11,14)(H,12,15)
InChIKeyYSZYYNVVGPQZQI-UHFFFAOYSA-N
XLogP-0.19
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-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 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione?
The IUPAC name of 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione (CID 91027710) is 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione.
What is the SMILES notation for 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione?
The canonical SMILES for 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione is O=C1NCCn2c3c([nH]c2=O)C=CCC13.
What is the InChIKey of 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione?
The InChIKey is YSZYYNVVGPQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-9-6-2-1-3-7-8(6)13(5-4-11-9)10(15)12-7/h1,3,6H,2,4-5H2,(H,11,14)(H,12,15).
What are the key properties of 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione?
1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione has a molecular weight of 205.22 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5-diene-2,9-dione is sourced from PubChem (CID 91027710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).