8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one

C15H11N3O — CID 101374170

IUPAC8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
SMILESCn1c(=O)c2cc3ccccc3n2c2ncccc21
InChIInChI=1S/C15H11N3O/c1-17-12-7-4-8-16-14(12)18-11-6-3-2-5-10(11)9-13(18)15(17)19/h2-9H,1H3
InChIKeyYSKGZSFOFXSPCZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.34
Rot. Bonds

About 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one

8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one (PubChem CID 101374170) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one.

Molecular Properties

Compound Name8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
PubChem CID101374170
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
SMILESCn1c(=O)c2cc3ccccc3n2c2ncccc21
InChIInChI=1S/C15H11N3O/c1-17-12-7-4-8-16-14(12)18-11-6-3-2-5-10(11)9-13(18)15(17)19/h2-9H,1H3
InChIKeyYSKGZSFOFXSPCZ-UHFFFAOYSA-N
XLogP2.34
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one?
The IUPAC name of 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one (CID 101374170) is 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one.
What is the SMILES notation for 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one?
The canonical SMILES for 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one is Cn1c(=O)c2cc3ccccc3n2c2ncccc21.
What is the InChIKey of 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one?
The InChIKey is YSKGZSFOFXSPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-17-12-7-4-8-16-14(12)18-11-6-3-2-5-10(11)9-13(18)15(17)19/h2-9H,1H3.
What are the key properties of 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one?
8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one has a molecular weight of 249.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one is sourced from PubChem (CID 101374170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).