1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one

C11H15N3O — CID 609380

IUPAC1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one
SMILESO=c1c2c(nc3n1CCCC3)CCNC2
InChIInChI=1S/C11H15N3O/c15-11-8-7-12-5-4-9(8)13-10-3-1-2-6-14(10)11/h12H,1-7H2
InChIKeyGJHQXUKKTIIPOM-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.23
Rot. Bonds

About 1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one

1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one (PubChem CID 609380) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one.

Molecular Properties

Compound Name1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one
PubChem CID609380
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one
SMILESO=c1c2c(nc3n1CCCC3)CCNC2
InChIInChI=1S/C11H15N3O/c15-11-8-7-12-5-4-9(8)13-10-3-1-2-6-14(10)11/h12H,1-7H2
InChIKeyGJHQXUKKTIIPOM-UHFFFAOYSA-N
XLogP0.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one?
The IUPAC name of 1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one (CID 609380) is 1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one.
What is the SMILES notation for 1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one?
The canonical SMILES for 1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one is O=c1c2c(nc3n1CCCC3)CCNC2.
What is the InChIKey of 1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one?
The InChIKey is GJHQXUKKTIIPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11-8-7-12-5-4-9(8)13-10-3-1-2-6-14(10)11/h12H,1-7H2.
What are the key properties of 1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one?
1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one is sourced from PubChem (CID 609380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).