8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione

C13H11N3O2 — CID 87581944

IUPAC8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione
SMILESO=C1NC(=O)N2CC3NC4C=CC=CC4=C3C=C12
InChIInChI=1S/C13H11N3O2/c17-12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-16(11)13(18)15-12/h1-5,9-10,14H,6H2,(H,15,17,18)
InChIKeyYZSBLFGQZMRVDK-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.20
Rot. Bonds

About 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione

8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione (PubChem CID 87581944) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione.

Molecular Properties

Compound Name8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione
PubChem CID87581944
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione
SMILESO=C1NC(=O)N2CC3NC4C=CC=CC4=C3C=C12
InChIInChI=1S/C13H11N3O2/c17-12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-16(11)13(18)15-12/h1-5,9-10,14H,6H2,(H,15,17,18)
InChIKeyYZSBLFGQZMRVDK-UHFFFAOYSA-N
XLogP0.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-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 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione?
The IUPAC name of 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione (CID 87581944) is 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione.
What is the SMILES notation for 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione?
The canonical SMILES for 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione is O=C1NC(=O)N2CC3NC4C=CC=CC4=C3C=C12.
What is the InChIKey of 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione?
The InChIKey is YZSBLFGQZMRVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-16(11)13(18)15-12/h1-5,9-10,14H,6H2,(H,15,17,18).
What are the key properties of 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione?
8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione has a molecular weight of 241.25 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione is sourced from PubChem (CID 87581944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).