11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione

C13H13N3O2 — CID 132572192

IUPAC11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
SMILESCn1c(=O)n2n(c1=O)C1CCC2c2ccccc21
InChIInChI=1S/C13H13N3O2/c1-14-12(17)15-10-6-7-11(16(15)13(14)18)9-5-3-2-4-8(9)10/h2-5,10-11H,6-7H2,1H3
InChIKeyXSGUZUCUWPQRMZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.63
Rot. Bonds

About 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione

11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione (PubChem CID 132572192) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione.

Molecular Properties

Compound Name11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
PubChem CID132572192
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
SMILESCn1c(=O)n2n(c1=O)C1CCC2c2ccccc21
InChIInChI=1S/C13H13N3O2/c1-14-12(17)15-10-6-7-11(16(15)13(14)18)9-5-3-2-4-8(9)10/h2-5,10-11H,6-7H2,1H3
InChIKeyXSGUZUCUWPQRMZ-UHFFFAOYSA-N
XLogP0.63
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione with MolForge

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Related Compounds

11-Methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
CID 13641377
(2S,15R)-25-methyl-23,25,27-triazaheptacyclo[14.6.5.02,15.03,8.09,14.017,22.023,27]heptacosa-3,5,7,9,11,13,17,19,21-nonaene-24,26-dione
CID 176434429
(2S,19R)-29-methyl-27,29,31-triazaoctacyclo[18.6.5.02,19.03,12.06,11.013,18.021,26.027,31]hentriaconta-3(12),4,6,8,10,13,15,17,21,23,25-undecaene-28,30-dione
CID 176434431
15-Methyl-13,15,17-triazapentacyclo[10.5.2.02,11.03,8.013,17]nonadeca-2(11),3,5,7,9-pentaene-14,16-dione
CID 177854109
11-Methyl-14-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
CID 177854115
11-Methyl-15-trimethylsilyl-9,11,13-triazapentacyclo[6.5.3.02,7.09,13.014,16]hexadeca-2,4,6-triene-10,12-dione
CID 177854120
(2S,15R)-25-methyl-18-phenyl-23,25,27-triazaheptacyclo[14.6.5.02,15.03,8.09,14.017,22.023,27]heptacosa-3,5,7,9,11,13,17,19,21-nonaene-24,26-dione
CID 177854224
(2S,15R)-29-methyl-27,29,31-triazaoctacyclo[14.10.5.02,15.03,8.09,14.017,26.018,23.027,31]hentriaconta-3,5,7,9,11,13,17(26),18,20,22,24-undecaene-28,30-dione
CID 177854225
17-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101757452
5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,6,7,8-tetrahydro-2-methyl-5,8-diphenyl-
CID 563506
17-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 156260094
17-Methyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2802753

Frequently Asked Questions

What is the IUPAC name of 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione?
The IUPAC name of 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione (CID 132572192) is 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione.
What is the SMILES notation for 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione?
The canonical SMILES for 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione is Cn1c(=O)n2n(c1=O)C1CCC2c2ccccc21.
What is the InChIKey of 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione?
The InChIKey is XSGUZUCUWPQRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-14-12(17)15-10-6-7-11(16(15)13(14)18)9-5-3-2-4-8(9)10/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione?
11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione has a molecular weight of 243.27 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione is sourced from PubChem (CID 132572192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).