10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione

C12H15N3O3 — CID 130310666

IUPAC10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
SMILESCc1cn2c(c(O)c1=O)C(=O)N1C(C)CCN1C2
InChIInChI=1S/C12H15N3O3/c1-7-5-13-6-14-4-3-8(2)15(14)12(18)9(13)11(17)10(7)16/h5,8,17H,3-4,6H2,1-2H3
InChIKeyJLTGNUQQTKAJGP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.28
Rot. Bonds

About 10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione

10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione (PubChem CID 130310666) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione.

Molecular Properties

Compound Name10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
PubChem CID130310666
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
SMILESCc1cn2c(c(O)c1=O)C(=O)N1C(C)CCN1C2
InChIInChI=1S/C12H15N3O3/c1-7-5-13-6-14-4-3-8(2)15(14)12(18)9(13)11(17)10(7)16/h5,8,17H,3-4,6H2,1-2H3
InChIKeyJLTGNUQQTKAJGP-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The IUPAC name of 10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione (CID 130310666) is 10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione.
What is the SMILES notation for 10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The canonical SMILES for 10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione is Cc1cn2c(c(O)c1=O)C(=O)N1C(C)CCN1C2.
What is the InChIKey of 10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The InChIKey is JLTGNUQQTKAJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7-5-13-6-14-4-3-8(2)15(14)12(18)9(13)11(17)10(7)16/h5,8,17H,3-4,6H2,1-2H3.
What are the key properties of 10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione has a molecular weight of 249.27 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione is sourced from PubChem (CID 130310666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).