5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one

C12H21N3O2 — CID 114397062

IUPAC5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one
SMILESCCC(C)C(O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H21N3O2/c1-5-9(2)11(16)8-15-12(17)6-10(7-13-15)14(3)4/h6-7,9,11,16H,5,8H2,1-4H3
InChIKeyHBOQLIXSWGXWJM-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.72
Rot. Bonds5

About 5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one

5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one (PubChem CID 114397062) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one
PubChem CID114397062
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one
SMILESCCC(C)C(O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H21N3O2/c1-5-9(2)11(16)8-15-12(17)6-10(7-13-15)14(3)4/h6-7,9,11,16H,5,8H2,1-4H3
InChIKeyHBOQLIXSWGXWJM-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)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-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one (CID 114397062) is 5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one is CCC(C)C(O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one?
The InChIKey is HBOQLIXSWGXWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-9(2)11(16)8-15-12(17)6-10(7-13-15)14(3)4/h6-7,9,11,16H,5,8H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one?
5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(2-hydroxy-3-methylpentyl)pyridazin-3-one is sourced from PubChem (CID 114397062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).