9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one

C15H13N3O — CID 159927533

IUPAC9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one
SMILESCN1C(=O)C2C=CC=NC2=C2C=C3C=CC=CC3N21
InChIInChI=1S/C15H13N3O/c1-17-15(19)11-6-4-8-16-14(11)13-9-10-5-2-3-7-12(10)18(13)17/h2-9,11-12H,1H3
InChIKeyHUUVEQXYHSPISW-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.58
Rot. Bonds

About 9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one

9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one (PubChem CID 159927533) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one.

Molecular Properties

Compound Name9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one
PubChem CID159927533
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one
SMILESCN1C(=O)C2C=CC=NC2=C2C=C3C=CC=CC3N21
InChIInChI=1S/C15H13N3O/c1-17-15(19)11-6-4-8-16-14(11)13-9-10-5-2-3-7-12(10)18(13)17/h2-9,11-12H,1H3
InChIKeyHUUVEQXYHSPISW-UHFFFAOYSA-N
XLogP1.58
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one?
The IUPAC name of 9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one (CID 159927533) is 9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one.
What is the SMILES notation for 9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one?
The canonical SMILES for 9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one is CN1C(=O)C2C=CC=NC2=C2C=C3C=CC=CC3N21.
What is the InChIKey of 9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one?
The InChIKey is HUUVEQXYHSPISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-17-15(19)11-6-4-8-16-14(11)13-9-10-5-2-3-7-12(10)18(13)17/h2-9,11-12H,1H3.
What are the key properties of 9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one?
9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one has a molecular weight of 251.29 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one is sourced from PubChem (CID 159927533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).