7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one

C11H13N3O2 — CID 79294837

IUPAC7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
SMILESCC12COCC1Nc1ncccc1NC2=O
InChIInChI=1S/C11H13N3O2/c1-11-6-16-5-8(11)14-9-7(13-10(11)15)3-2-4-12-9/h2-4,8H,5-6H2,1H3,(H,12,14)(H,13,15)
InChIKeyMHPXGMWPZQKZGR-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.85
Rot. Bonds

About 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one

7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one (PubChem CID 79294837) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one.

Molecular Properties

Compound Name7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
PubChem CID79294837
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
SMILESCC12COCC1Nc1ncccc1NC2=O
InChIInChI=1S/C11H13N3O2/c1-11-6-16-5-8(11)14-9-7(13-10(11)15)3-2-4-12-9/h2-4,8H,5-6H2,1H3,(H,12,14)(H,13,15)
InChIKeyMHPXGMWPZQKZGR-UHFFFAOYSA-N
XLogP0.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one 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 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The IUPAC name of 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one (CID 79294837) is 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one.
What is the SMILES notation for 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The canonical SMILES for 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one is CC12COCC1Nc1ncccc1NC2=O.
What is the InChIKey of 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The InChIKey is MHPXGMWPZQKZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11-6-16-5-8(11)14-9-7(13-10(11)15)3-2-4-12-9/h2-4,8H,5-6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one has a molecular weight of 219.24 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one is sourced from PubChem (CID 79294837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).