5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione

C15H13N3O2 — CID 12753485

IUPAC5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione
SMILESO=c1n(-c2ccccc2)c(=O)n2n1C1C3CC4C1C4C32
InChIInChI=1S/C15H13N3O2/c19-14-16(7-4-2-1-3-5-7)15(20)18-13-9-6-8-10(11(8)13)12(9)17(14)18/h1-5,8-13H,6H2
InChIKeyYVYPAPKGTWSNGE-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.79
Rot. Bonds1

About 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione

5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione (PubChem CID 12753485) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione.

Molecular Properties

Compound Name5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione
PubChem CID12753485
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione
SMILESO=c1n(-c2ccccc2)c(=O)n2n1C1C3CC4C1C4C32
InChIInChI=1S/C15H13N3O2/c19-14-16(7-4-2-1-3-5-7)15(20)18-13-9-6-8-10(11(8)13)12(9)17(14)18/h1-5,8-13H,6H2
InChIKeyYVYPAPKGTWSNGE-UHFFFAOYSA-N
XLogP0.79
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione with MolForge

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Related Compounds

(1R,2R,10R,11R)-6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,13.03,11.04,8.010,12]tridecane-5,7-dione
CID 100895798
5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione
CID 2755636
(12Z,14Z)-4-phenyl-2,4,6-triazatetracyclo[5.4.4.02,6.08,11]pentadeca-12,14-diene-3,5-dione
CID 5383412
(1S,2S,3S,9S,10R,11S,12S,13S)-1-methyl-6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,12.03,11.04,8.010,13]tridecane-5,7-dione
CID 119079407
(1S,7S)-9-hydroxy-4-phenyl-2,4,6-triazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione
CID 98163811
(1S,2S,8S,10R,11S,12S)-10-methyl-5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,11.03,7.010,12]dodecane-4,6-dione
CID 98557315
(1S,2S,8R,10S,11S,12S)-10-methyl-5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,11.03,7.010,12]dodecane-4,6-dione
CID 98557314
(1S,2S,10S,11S)-5,7-dioxo-6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,12.03,11.04,8.010,13]tridecane-12-carbonitrile
CID 99954820
4,8-diphenyl-2,4,6-triazatricyclo[5.2.1.02,6]decane-3,5-dione
CID 611750
15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione
CID 90482165
(1S,2S,3R,9R,10S,11R)-12-(methoxymethyl)-6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,13.03,11.04,8.010,12]tridecane-5,7-dione
CID 98163496
(1R,2S,8R,11S,12R,13R)-16-phenyl-14,16,18-triazaheptacyclo[9.7.0.02,8.02,9.08,13.010,12.014,18]octadecane-15,17-dione
CID 98555898

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione?
The IUPAC name of 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione (CID 12753485) is 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione.
What is the SMILES notation for 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione?
The canonical SMILES for 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione is O=c1n(-c2ccccc2)c(=O)n2n1C1C3CC4C1C4C32.
What is the InChIKey of 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione?
The InChIKey is YVYPAPKGTWSNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14-16(7-4-2-1-3-5-7)15(20)18-13-9-6-8-10(11(8)13)12(9)17(14)18/h1-5,8-13H,6H2.
What are the key properties of 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione?
5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione has a molecular weight of 267.29 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione is sourced from PubChem (CID 12753485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).