11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one

C17H23N3O — CID 15744961

IUPAC11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
SMILESCCCN(CCC)C1Cc2cccc3ncc(=O)n(c23)C1
InChIInChI=1S/C17H23N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(12-14)16(21)11-18-15/h5-7,11,14H,3-4,8-10,12H2,1-2H3
InChIKeyZUNQTXSGJHYWAG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.44
Rot. Bonds5

About 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one

11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one (PubChem CID 15744961) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one.

Molecular Properties

Compound Name11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
PubChem CID15744961
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
SMILESCCCN(CCC)C1Cc2cccc3ncc(=O)n(c23)C1
InChIInChI=1S/C17H23N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(12-14)16(21)11-18-15/h5-7,11,14H,3-4,8-10,12H2,1-2H3
InChIKeyZUNQTXSGJHYWAG-UHFFFAOYSA-N
XLogP2.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
The IUPAC name of 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one (CID 15744961) is 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one.
What is the SMILES notation for 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
The canonical SMILES for 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one is CCCN(CCC)C1Cc2cccc3ncc(=O)n(c23)C1.
What is the InChIKey of 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
The InChIKey is ZUNQTXSGJHYWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(12-14)16(21)11-18-15/h5-7,11,14H,3-4,8-10,12H2,1-2H3.
What are the key properties of 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one is sourced from PubChem (CID 15744961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).