6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one

C10H8N2O3 — CID 28819147

IUPAC6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one
SMILESCc1noc2nc3c(cc12)CCOC3=O
InChIInChI=1S/C10H8N2O3/c1-5-7-4-6-2-3-14-10(13)8(6)11-9(7)15-12-5/h4H,2-3H2,1H3
InChIKeyXOJJQEZKIJUHDQ-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.24
Rot. Bonds

About 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one

6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one (PubChem CID 28819147) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one.

Molecular Properties

Compound Name6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one
PubChem CID28819147
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one
SMILESCc1noc2nc3c(cc12)CCOC3=O
InChIInChI=1S/C10H8N2O3/c1-5-7-4-6-2-3-14-10(13)8(6)11-9(7)15-12-5/h4H,2-3H2,1H3
InChIKeyXOJJQEZKIJUHDQ-UHFFFAOYSA-N
XLogP1.24
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-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 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one?
The IUPAC name of 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one (CID 28819147) is 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one.
What is the SMILES notation for 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one?
The canonical SMILES for 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one is Cc1noc2nc3c(cc12)CCOC3=O.
What is the InChIKey of 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one?
The InChIKey is XOJJQEZKIJUHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-5-7-4-6-2-3-14-10(13)8(6)11-9(7)15-12-5/h4H,2-3H2,1H3.
What are the key properties of 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one?
6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one has a molecular weight of 204.18 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,12-dioxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-13-one is sourced from PubChem (CID 28819147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).