11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

C17H25N3O — CID 15744960

IUPAC11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
SMILESCCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)CN3
InChIInChI=1S/C17H25N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(12-14)16(21)11-18-15/h5-7,14,18H,3-4,8-12H2,1-2H3
InChIKeyAGDDFINMHZZBNF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.49
Rot. Bonds5

About 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one (PubChem CID 15744960) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.

Molecular Properties

Compound Name11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
PubChem CID15744960
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
SMILESCCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)CN3
InChIInChI=1S/C17H25N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(12-14)16(21)11-18-15/h5-7,14,18H,3-4,8-12H2,1-2H3
InChIKeyAGDDFINMHZZBNF-UHFFFAOYSA-N
XLogP2.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The IUPAC name of 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one (CID 15744960) is 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.
What is the SMILES notation for 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The canonical SMILES for 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one is CCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)CN3.
What is the InChIKey of 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The InChIKey is AGDDFINMHZZBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(12-14)16(21)11-18-15/h5-7,14,18H,3-4,8-12H2,1-2H3.
What are the key properties of 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one is sourced from PubChem (CID 15744960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).