5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one

C12H19N3O2 — CID 106801873

IUPAC5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H19N3O2/c1-4-11(16)6-5-7-15-12(17)8-10(9-13-15)14(2)3/h8-9H,4-7H2,1-3H3
InChIKeyBWTOHGDYHWAAIP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.07
Rot. Bonds6

About 5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one

5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one (PubChem CID 106801873) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one
PubChem CID106801873
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H19N3O2/c1-4-11(16)6-5-7-15-12(17)8-10(9-13-15)14(2)3/h8-9H,4-7H2,1-3H3
InChIKeyBWTOHGDYHWAAIP-UHFFFAOYSA-N
XLogP1.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one (CID 106801873) is 5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one is CCC(=O)CCCn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one?
The InChIKey is BWTOHGDYHWAAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-11(16)6-5-7-15-12(17)8-10(9-13-15)14(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one?
5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(4-oxohexyl)pyridazin-3-one is sourced from PubChem (CID 106801873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).