11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one

C14H9N3O — CID 136740086

IUPAC11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
SMILESO=c1[nH]cnc2[nH]c3ccc4ccccc4c3c12
InChIInChI=1S/C14H9N3O/c18-14-12-11-9-4-2-1-3-8(9)5-6-10(11)17-13(12)15-7-16-14/h1-7H,(H2,15,16,17,18)
InChIKeyONZHMZCGGDDBIC-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.56
Rot. Bonds

About 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one

11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one (PubChem CID 136740086) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one.

Molecular Properties

Compound Name11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
PubChem CID136740086
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
SMILESO=c1[nH]cnc2[nH]c3ccc4ccccc4c3c12
InChIInChI=1S/C14H9N3O/c18-14-12-11-9-4-2-1-3-8(9)5-6-10(11)17-13(12)15-7-16-14/h1-7H,(H2,15,16,17,18)
InChIKeyONZHMZCGGDDBIC-UHFFFAOYSA-N
XLogP2.56
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one with MolForge

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Related Compounds

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CID 101126240
13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
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Frequently Asked Questions

What is the IUPAC name of 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
The IUPAC name of 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one (CID 136740086) is 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one.
What is the SMILES notation for 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
The canonical SMILES for 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one is O=c1[nH]cnc2[nH]c3ccc4ccccc4c3c12.
What is the InChIKey of 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
The InChIKey is ONZHMZCGGDDBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c18-14-12-11-9-4-2-1-3-8(9)5-6-10(11)17-13(12)15-7-16-14/h1-7H,(H2,15,16,17,18).
What are the key properties of 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one has a molecular weight of 235.25 g/mol, XLogP of 2.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one is sourced from PubChem (CID 136740086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).