5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one

C12H21N3O2 — CID 114396575

IUPAC5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(C)CO)c(=O)c1
InChIInChI=1S/C12H21N3O2/c1-4-14(5-2)11-6-12(17)15(13-7-11)8-10(3)9-16/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyRIFISGIDNVNXEA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.72
Rot. Bonds6

About 5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one

5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (PubChem CID 114396575) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
PubChem CID114396575
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(C)CO)c(=O)c1
InChIInChI=1S/C12H21N3O2/c1-4-14(5-2)11-6-12(17)15(13-7-11)8-10(3)9-16/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyRIFISGIDNVNXEA-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-(diethylamino)-2-(3-hydroxy-2-methylpropyl)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

Related Compounds

2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)-3(2H)-pyridazinone
CID 29151857
5-Amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218258
5-Amino-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103218313
2-(3-Hydroxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218540
2-(3-Hydroxy-2-methylpropyl)-5-(methylamino)pyridazin-3-one
CID 103218601
5-(Ethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218955
5-(Ethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103219042
2-(3-Hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219396
2-(3-Hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219473
5-(Cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103219864
2-(3-Hydroxypropyl)-5-(propylamino)pyridazin-3-one
CID 103220155
2-(3-Hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one
CID 103220216

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (CID 114396575) is 5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is CCN(CC)c1cnn(CC(C)CO)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The InChIKey is RIFISGIDNVNXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-14(5-2)11-6-12(17)15(13-7-11)8-10(3)9-16/h6-7,10,16H,4-5,8-9H2,1-3H3.
What are the key properties of 5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114396575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).