5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one

C14H15N3O — CID 72724640

IUPAC5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one
SMILESO=C1NCCC2c3[nH]c4ccccc4c3CCN12
InChIInChI=1S/C14H15N3O/c18-14-15-7-5-12-13-10(6-8-17(12)14)9-3-1-2-4-11(9)16-13/h1-4,12,16H,5-8H2,(H,15,18)
InChIKeyJWKFPYWSHAADKU-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.18
Rot. Bonds

About 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one

5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one (PubChem CID 72724640) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one.

Molecular Properties

Compound Name5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one
PubChem CID72724640
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one
SMILESO=C1NCCC2c3[nH]c4ccccc4c3CCN12
InChIInChI=1S/C14H15N3O/c18-14-15-7-5-12-13-10(6-8-17(12)14)9-3-1-2-4-11(9)16-13/h1-4,12,16H,5-8H2,(H,15,18)
InChIKeyJWKFPYWSHAADKU-UHFFFAOYSA-N
XLogP2.18
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one?
The IUPAC name of 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one (CID 72724640) is 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one.
What is the SMILES notation for 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one?
The canonical SMILES for 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one is O=C1NCCC2c3[nH]c4ccccc4c3CCN12.
What is the InChIKey of 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one?
The InChIKey is JWKFPYWSHAADKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14-15-7-5-12-13-10(6-8-17(12)14)9-3-1-2-4-11(9)16-13/h1-4,12,16H,5-8H2,(H,15,18).
What are the key properties of 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one?
5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one has a molecular weight of 241.29 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one is sourced from PubChem (CID 72724640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).