2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one

C11H13N3O — CID 58587707

IUPAC2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one
SMILESO=c1c2c(nc3cc[nH]n13)CCCCC2
InChIInChI=1S/C11H13N3O/c15-11-8-4-2-1-3-5-9(8)13-10-6-7-12-14(10)11/h6-7,12H,1-5H2
InChIKeyFTFZRVBWLHUWRZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.29
Rot. Bonds

About 2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one

2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one (PubChem CID 58587707) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one.

Molecular Properties

Compound Name2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one
PubChem CID58587707
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one
SMILESO=c1c2c(nc3cc[nH]n13)CCCCC2
InChIInChI=1S/C11H13N3O/c15-11-8-4-2-1-3-5-9(8)13-10-6-7-12-14(10)11/h6-7,12H,1-5H2
InChIKeyFTFZRVBWLHUWRZ-UHFFFAOYSA-N
XLogP1.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one?
The IUPAC name of 2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one (CID 58587707) is 2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one.
What is the SMILES notation for 2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one?
The canonical SMILES for 2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one is O=c1c2c(nc3cc[nH]n13)CCCCC2.
What is the InChIKey of 2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one?
The InChIKey is FTFZRVBWLHUWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c15-11-8-4-2-1-3-5-9(8)13-10-6-7-12-14(10)11/h6-7,12H,1-5H2.
What are the key properties of 2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one?
2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one has a molecular weight of 203.25 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one is sourced from PubChem (CID 58587707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).