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

C17H13N3O2 — CID 2802753

IUPAC17-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
SMILESCn1c(=O)n2n(c1=O)C1c3ccccc3C2c2ccccc21
InChIInChI=1S/C17H13N3O2/c1-18-16(21)19-14-10-6-2-3-7-11(10)15(20(19)17(18)22)13-9-5-4-8-12(13)14/h2-9,14-15H,1H3
InChIKeyJAXWLJXTMJVDGW-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.25
Rot. Bonds

About 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

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 (PubChem CID 2802753) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17-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
PubChem CID2802753
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name17-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
SMILESCn1c(=O)n2n(c1=O)C1c3ccccc3C2c2ccccc21
InChIInChI=1S/C17H13N3O2/c1-18-16(21)19-14-10-6-2-3-7-11(10)15(20(19)17(18)22)13-9-5-4-8-12(13)14/h2-9,14-15H,1H3
InChIKeyJAXWLJXTMJVDGW-UHFFFAOYSA-N
XLogP1.25
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

17-Phenyl-15,17,19-triazapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2844431
(2S,15R)-25-methyl-5-(trifluoromethyl)-23,25,27-triazaheptacyclo[14.6.5.02,15.03,8.09,14.017,22.023,27]heptacosa-3(8),4,6,9,11,13,17,19,21-nonaene-24,26-dione
CID 177854232
17-[[Dimethyl(oxo)-lambda6-sulfanylidene]amino]-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 396799
11-Methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
CID 13641377
17-[2,6-Di(propan-2-yl)phenyl]-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 101952501
11-Methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
CID 132572192
1-Methyl-17-phenyl-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 139254775
4,11-Dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
CID 164669545
(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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(=O)n2n(c1=O)C1c3ccccc3C2c2ccccc21.
What is the InChIKey of 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?
The InChIKey is JAXWLJXTMJVDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-18-16(21)19-14-10-6-2-3-7-11(10)15(20(19)17(18)22)13-9-5-4-8-12(13)14/h2-9,14-15H,1H3.
What are the key properties of 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?
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 has a molecular weight of 291.31 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 2802753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).