6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one

C15H9N3O — CID 138373836

IUPAC6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one
SMILESO=C1CC=NN=c2ccc3c(c21)N=c1ccccc1=3
InChIInChI=1S/C15H9N3O/c19-13-7-8-16-18-12-6-5-10-9-3-1-2-4-11(9)17-15(10)14(12)13/h1-6,8H,7H2
InChIKeyVODJEMOHKMYTCI-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.43
Rot. Bonds

About 6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one

6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one (PubChem CID 138373836) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one.

Molecular Properties

Compound Name6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one
PubChem CID138373836
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one
SMILESO=C1CC=NN=c2ccc3c(c21)N=c1ccccc1=3
InChIInChI=1S/C15H9N3O/c19-13-7-8-16-18-12-6-5-10-9-3-1-2-4-11(9)17-15(10)14(12)13/h1-6,8H,7H2
InChIKeyVODJEMOHKMYTCI-UHFFFAOYSA-N
XLogP1.43
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one?
The IUPAC name of 6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one (CID 138373836) is 6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one.
What is the SMILES notation for 6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one?
The canonical SMILES for 6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one is O=C1CC=NN=c2ccc3c(c21)N=c1ccccc1=3.
What is the InChIKey of 6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one?
The InChIKey is VODJEMOHKMYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c19-13-7-8-16-18-12-6-5-10-9-3-1-2-4-11(9)17-15(10)14(12)13/h1-6,8H,7H2.
What are the key properties of 6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one?
6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one has a molecular weight of 247.26 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1,5,7,9,11,13,15,17-octaen-3-one is sourced from PubChem (CID 138373836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).