6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

C14H7N3O — CID 15480973

IUPAC6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
SMILESO=C1c2ncccc2-c2nccc3ccnc1c23
InChIInChI=1S/C14H7N3O/c18-14-12-9(2-1-5-15-12)11-10-8(3-6-16-11)4-7-17-13(10)14/h1-7H
InChIKeyOPUPHQHVRPYOTC-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.24
Rot. Bonds

About 6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one (PubChem CID 15480973) has the molecular formula C14H7N3O and a molecular weight of 233.23 g/mol. Its IUPAC name is 6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one.

Molecular Properties

Compound Name6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
PubChem CID15480973
Molecular FormulaC14H7N3O
Molecular Weight233.23 g/mol
Exact Mass233.06
IUPAC Name6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
SMILESO=C1c2ncccc2-c2nccc3ccnc1c23
InChIInChI=1S/C14H7N3O/c18-14-12-9(2-1-5-15-12)11-10-8(3-6-16-11)4-7-17-13(10)14/h1-7H
InChIKeyOPUPHQHVRPYOTC-UHFFFAOYSA-N
XLogP2.24
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
The IUPAC name of 6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one (CID 15480973) is 6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one.
What is the SMILES notation for 6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
The canonical SMILES for 6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one is O=C1c2ncccc2-c2nccc3ccnc1c23.
What is the InChIKey of 6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
The InChIKey is OPUPHQHVRPYOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N3O/c18-14-12-9(2-1-5-15-12)11-10-8(3-6-16-11)4-7-17-13(10)14/h1-7H.
What are the key properties of 6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one has a molecular weight of 233.23 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one is sourced from PubChem (CID 15480973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).