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

C14H23N3O2 — CID 106801878

IUPAC5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C14H23N3O2/c1-4-13(18)8-7-9-17-14(19)10-12(11-15-17)16(5-2)6-3/h10-11H,4-9H2,1-3H3
InChIKeyCREHDGOIZBUTBF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.85
Rot. Bonds8

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

5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one (PubChem CID 106801878) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one
PubChem CID106801878
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C14H23N3O2/c1-4-13(18)8-7-9-17-14(19)10-12(11-15-17)16(5-2)6-3/h10-11H,4-9H2,1-3H3
InChIKeyCREHDGOIZBUTBF-UHFFFAOYSA-N
XLogP1.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one (CID 106801878) is 5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one is CCC(=O)CCCn1ncc(N(CC)CC)cc1=O.
What is the InChIKey of 5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one?
The InChIKey is CREHDGOIZBUTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-13(18)8-7-9-17-14(19)10-12(11-15-17)16(5-2)6-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one?
5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(4-oxohexyl)pyridazin-3-one is sourced from PubChem (CID 106801878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).