8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione

C11H9N3O2 — CID 110188751

IUPAC8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione
SMILESCn1c(=O)c2cccn2c2[nH]c(=O)ccc21
InChIInChI=1S/C11H9N3O2/c1-13-7-4-5-9(15)12-10(7)14-6-2-3-8(14)11(13)16/h2-6H,1H3,(H,12,15)
InChIKeyIVAKKAAQDQXUFW-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.48
Rot. Bonds

About 8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione

8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione (PubChem CID 110188751) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione.

Molecular Properties

Compound Name8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione
PubChem CID110188751
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione
SMILESCn1c(=O)c2cccn2c2[nH]c(=O)ccc21
InChIInChI=1S/C11H9N3O2/c1-13-7-4-5-9(15)12-10(7)14-6-2-3-8(14)11(13)16/h2-6H,1H3,(H,12,15)
InChIKeyIVAKKAAQDQXUFW-UHFFFAOYSA-N
XLogP0.48
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione?
The IUPAC name of 8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione (CID 110188751) is 8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione.
What is the SMILES notation for 8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione?
The canonical SMILES for 8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione is Cn1c(=O)c2cccn2c2[nH]c(=O)ccc21.
What is the InChIKey of 8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione?
The InChIKey is IVAKKAAQDQXUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-13-7-4-5-9(15)12-10(7)14-6-2-3-8(14)11(13)16/h2-6H,1H3,(H,12,15).
What are the key properties of 8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione?
8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione has a molecular weight of 215.21 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione is sourced from PubChem (CID 110188751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).