10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C17H25N3O — CID 15744955

IUPAC10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCCN(CCC)C1Cc2cccc3c2n(c(=O)n3C)C1
InChIInChI=1S/C17H25N3O/c1-4-9-19(10-5-2)14-11-13-7-6-8-15-16(13)20(12-14)17(21)18(15)3/h6-8,14H,4-5,9-12H2,1-3H3
InChIKeyVKYJURCBISNWGU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.39
Rot. Bonds5

About 10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 15744955) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID15744955
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCCN(CCC)C1Cc2cccc3c2n(c(=O)n3C)C1
InChIInChI=1S/C17H25N3O/c1-4-9-19(10-5-2)14-11-13-7-6-8-15-16(13)20(12-14)17(21)18(15)3/h6-8,14H,4-5,9-12H2,1-3H3
InChIKeyVKYJURCBISNWGU-UHFFFAOYSA-N
XLogP2.39
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of 10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 15744955) is 10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for 10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for 10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is CCCN(CCC)C1Cc2cccc3c2n(c(=O)n3C)C1.
What is the InChIKey of 10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is VKYJURCBISNWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-9-19(10-5-2)14-11-13-7-6-8-15-16(13)20(12-14)17(21)18(15)3/h6-8,14H,4-5,9-12H2,1-3H3.
What are the key properties of 10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(dipropylamino)-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 15744955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).