5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one

C12H21N3O2 — CID 114396538

IUPAC5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C12H21N3O2/c1-5-14(4)10-8-11(16)15(13-9-10)7-6-12(2,3)17/h8-9,17H,5-7H2,1-4H3
InChIKeyWRJNQDZDQQEOEU-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.86
Rot. Bonds5

About 5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one

5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (PubChem CID 114396538) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
PubChem CID114396538
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C12H21N3O2/c1-5-14(4)10-8-11(16)15(13-9-10)7-6-12(2,3)17/h8-9,17H,5-7H2,1-4H3
InChIKeyWRJNQDZDQQEOEU-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
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-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (CID 114396538) is 5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is CCN(C)c1cnn(CCC(C)(C)O)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The InChIKey is WRJNQDZDQQEOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-14(4)10-8-11(16)15(13-9-10)7-6-12(2,3)17/h8-9,17H,5-7H2,1-4H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 114396538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).