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

C11H19N3O2 — CID 114396374

IUPAC5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCN(C)c1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-11(2,16)5-6-14-10(15)7-9(8-12-14)13(3)4/h7-8,16H,5-6H2,1-4H3
InChIKeyFWXDVQXYVPGNCM-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.47
Rot. Bonds4

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

5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (PubChem CID 114396374) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
PubChem CID114396374
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCN(C)c1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-11(2,16)5-6-14-10(15)7-9(8-12-14)13(3)4/h7-8,16H,5-6H2,1-4H3
InChIKeyFWXDVQXYVPGNCM-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Hydroxy-3-methylbutyl)pyridazin-3-one
CID 79361386
5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
5-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417
2-(3-Hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218690
5-(Ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103219135
5-(Cyclopropylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103219946
2-(3-Hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220306
5-(Cyclobutylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103220659
5-(2-Aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103221233
2-(3-Hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221659
5-(Cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103221943
5-[2-Aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103223479

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (CID 114396374) is 5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is CN(C)c1cnn(CCC(C)(C)O)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The InChIKey is FWXDVQXYVPGNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,16)5-6-14-10(15)7-9(8-12-14)13(3)4/h7-8,16H,5-6H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 114396374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).