6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one

C13H12N2O2S — CID 54689176

IUPAC6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
SMILESCc1nc2sc3c(O)cc(=O)[nH]c3c2c(C)c1C
InChIInChI=1S/C13H12N2O2S/c1-5-6(2)10-11-12(8(16)4-9(17)15-11)18-13(10)14-7(5)3/h4H,1-3H3,(H2,15,16,17)
InChIKeyOGRVZGBYHJPTOD-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.77
Rot. Bonds

About 6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one

6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (PubChem CID 54689176) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one.

Molecular Properties

Compound Name6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
PubChem CID54689176
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
SMILESCc1nc2sc3c(O)cc(=O)[nH]c3c2c(C)c1C
InChIInChI=1S/C13H12N2O2S/c1-5-6(2)10-11-12(8(16)4-9(17)15-11)18-13(10)14-7(5)3/h4H,1-3H3,(H2,15,16,17)
InChIKeyOGRVZGBYHJPTOD-UHFFFAOYSA-N
XLogP2.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-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-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The IUPAC name of 6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (CID 54689176) is 6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one.
What is the SMILES notation for 6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The canonical SMILES for 6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one is Cc1nc2sc3c(O)cc(=O)[nH]c3c2c(C)c1C.
What is the InChIKey of 6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The InChIKey is OGRVZGBYHJPTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-5-6(2)10-11-12(8(16)4-9(17)15-11)18-13(10)14-7(5)3/h4H,1-3H3,(H2,15,16,17).
What are the key properties of 6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one has a molecular weight of 260.32 g/mol, XLogP of 2.77, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-11,12,13-trimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one is sourced from PubChem (CID 54689176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).