11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

C12H15N3O3 — CID 130310661

IUPAC11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCc1cn2c(c(O)c1=O)C(=O)N1CCCCN1C2
InChIInChI=1S/C12H15N3O3/c1-8-6-13-7-14-4-2-3-5-15(14)12(18)9(13)11(17)10(8)16/h6,17H,2-5,7H2,1H3
InChIKeyDBJDDIHGQNCCDC-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.29
Rot. Bonds

About 11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 130310661) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID130310661
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCc1cn2c(c(O)c1=O)C(=O)N1CCCCN1C2
InChIInChI=1S/C12H15N3O3/c1-8-6-13-7-14-4-2-3-5-15(14)12(18)9(13)11(17)10(8)16/h6,17H,2-5,7H2,1H3
InChIKeyDBJDDIHGQNCCDC-UHFFFAOYSA-N
XLogP0.29
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of 11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 130310661) is 11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for 11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for 11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is Cc1cn2c(c(O)c1=O)C(=O)N1CCCCN1C2.
What is the InChIKey of 11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is DBJDDIHGQNCCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-6-13-7-14-4-2-3-5-15(14)12(18)9(13)11(17)10(8)16/h6,17H,2-5,7H2,1H3.
What are the key properties of 11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 249.27 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-13-methyl-1,3,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 130310661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).