5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one

C11H19N3O2 — CID 114396533

IUPAC5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-3-13(2)10-8-11(16)14(12-9-10)6-4-5-7-15/h8-9,15H,3-7H2,1-2H3
InChIKeyDLPLHKGFYXVTRY-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.47
Rot. Bonds6

About 5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one

5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one (PubChem CID 114396533) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
PubChem CID114396533
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-3-13(2)10-8-11(16)14(12-9-10)6-4-5-7-15/h8-9,15H,3-7H2,1-2H3
InChIKeyDLPLHKGFYXVTRY-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394811
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920891
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114396212
ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 114396186

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one (CID 114396533) is 5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one is CCN(C)c1cnn(CCCCO)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one?
The InChIKey is DLPLHKGFYXVTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-13(2)10-8-11(16)14(12-9-10)6-4-5-7-15/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one?
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.47, 6 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-(4-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 114396533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).