11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione

C12H13N3O2 — CID 10657144

IUPAC11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione
SMILESCn1c(=O)c2cc3c(nc2n(C)c1=O)CCC3
InChIInChI=1S/C12H13N3O2/c1-14-10-8(11(16)15(2)12(14)17)6-7-4-3-5-9(7)13-10/h6H,3-5H2,1-2H3
InChIKeyAUMSYZXHZLGJMR-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.12
Rot. Bonds

About 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione

11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione (PubChem CID 10657144) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione.

Molecular Properties

Compound Name11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione
PubChem CID10657144
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione
SMILESCn1c(=O)c2cc3c(nc2n(C)c1=O)CCC3
InChIInChI=1S/C12H13N3O2/c1-14-10-8(11(16)15(2)12(14)17)6-7-4-3-5-9(7)13-10/h6H,3-5H2,1-2H3
InChIKeyAUMSYZXHZLGJMR-UHFFFAOYSA-N
XLogP0.12
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione with MolForge

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Related Compounds

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5-methyl-8,9,10,11-tetrahydroquinolino[3,2-c]quinolin-6-one
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13,15-dimethyl-13,15,17-triazatricyclo[8.7.1.011,16]octadeca-1(17),10(18),11(16)-triene-12,14-dione
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CID 2785860
6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 66490017
4,6-dimethyl-12,14-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),2,8-triene-5,7,11,13-tetrone
CID 14042826
1,3-dimethyl-5-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 73322023
1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 51109198
7-(dimethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 101014854
6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione
CID 6408828
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277346
2-(10-oxo-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7,12-tetraen-11-yl)acetic acid
CID 53213448

Frequently Asked Questions

What is the IUPAC name of 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione?
The IUPAC name of 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione (CID 10657144) is 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione.
What is the SMILES notation for 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione?
The canonical SMILES for 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione is Cn1c(=O)c2cc3c(nc2n(C)c1=O)CCC3.
What is the InChIKey of 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione?
The InChIKey is AUMSYZXHZLGJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14-10-8(11(16)15(2)12(14)17)6-7-4-3-5-9(7)13-10/h6H,3-5H2,1-2H3.
What are the key properties of 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione?
11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione has a molecular weight of 231.25 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-dimethyl-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7-triene-10,12-dione is sourced from PubChem (CID 10657144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).