2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one

C13H9N3O — CID 22914370

IUPAC2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one
SMILESO=C1c2ccccc2-n2cncc2C2=CCN12
InChIInChI=1S/C13H9N3O/c17-13-9-3-1-2-4-10(9)16-8-14-7-12(16)11-5-6-15(11)13/h1-5,7-8H,6H2
InChIKeyQKGRESFVCPTLIF-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.68
Rot. Bonds

About 2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one

2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one (PubChem CID 22914370) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one.

Molecular Properties

Compound Name2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one
PubChem CID22914370
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one
SMILESO=C1c2ccccc2-n2cncc2C2=CCN12
InChIInChI=1S/C13H9N3O/c17-13-9-3-1-2-4-10(9)16-8-14-7-12(16)11-5-6-15(11)13/h1-5,7-8H,6H2
InChIKeyQKGRESFVCPTLIF-UHFFFAOYSA-N
XLogP1.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one?
The IUPAC name of 2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one (CID 22914370) is 2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one.
What is the SMILES notation for 2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one?
The canonical SMILES for 2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one is O=C1c2ccccc2-n2cncc2C2=CCN12.
What is the InChIKey of 2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one?
The InChIKey is QKGRESFVCPTLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-13-9-3-1-2-4-10(9)16-8-14-7-12(16)11-5-6-15(11)13/h1-5,7-8H,6H2.
What are the key properties of 2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one?
2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one has a molecular weight of 223.24 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one is sourced from PubChem (CID 22914370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).