8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one

C14H9N3O — CID 616556

IUPAC8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one
SMILESO=c1[nH]c2ccccc2c2nc3ccccn3c12
InChIInChI=1S/C14H9N3O/c18-14-13-12(9-5-1-2-6-10(9)15-14)16-11-7-3-4-8-17(11)13/h1-8H,(H,15,18)
InChIKeyHTLQIPSFRWPCRL-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.33
Rot. Bonds

About 8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one

8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one (PubChem CID 616556) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one.

Molecular Properties

Compound Name8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one
PubChem CID616556
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one
SMILESO=c1[nH]c2ccccc2c2nc3ccccn3c12
InChIInChI=1S/C14H9N3O/c18-14-13-12(9-5-1-2-6-10(9)15-14)16-11-7-3-4-8-17(11)13/h1-8H,(H,15,18)
InChIKeyHTLQIPSFRWPCRL-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one?
The IUPAC name of 8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one (CID 616556) is 8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one.
What is the SMILES notation for 8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one?
The canonical SMILES for 8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one is O=c1[nH]c2ccccc2c2nc3ccccn3c12.
What is the InChIKey of 8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one?
The InChIKey is HTLQIPSFRWPCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c18-14-13-12(9-5-1-2-6-10(9)15-14)16-11-7-3-4-8-17(11)13/h1-8H,(H,15,18).
What are the key properties of 8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one?
8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one has a molecular weight of 235.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one is sourced from PubChem (CID 616556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).