2-(2-hydroxybutyl)-5-methylpyridazin-3-one

C9H14N2O2 — CID 106548856

IUPAC2-(2-hydroxybutyl)-5-methylpyridazin-3-one
SMILESCCC(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C9H14N2O2/c1-3-8(12)6-11-9(13)4-7(2)5-10-11/h4-5,8,12H,3,6H2,1-2H3
InChIKeyFMYKFKHKLMKPNX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.32
Rot. Bonds3

About 2-(2-hydroxybutyl)-5-methylpyridazin-3-one

2-(2-hydroxybutyl)-5-methylpyridazin-3-one (PubChem CID 106548856) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-hydroxybutyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxybutyl)-5-methylpyridazin-3-one
PubChem CID106548856
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-hydroxybutyl)-5-methylpyridazin-3-one
SMILESCCC(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C9H14N2O2/c1-3-8(12)6-11-9(13)4-7(2)5-10-11/h4-5,8,12H,3,6H2,1-2H3
InChIKeyFMYKFKHKLMKPNX-UHFFFAOYSA-N
XLogP0.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-5-methyl-2,3-dihydropyridazin-3-one
CID 165595267
2-(2-Hydroxybutyl)pyridazin-3-one
CID 62849611
2-(2-Hydroxypentyl)pyridazin-3-one
CID 62848741
2-(2-Hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 62849436
2-(2-Hydroxy-3,3-dimethylbutyl)pyridazin-3-one
CID 62849795
2-(3-Hydroxybutyl)pyridazin-3-one
CID 62850510
2-(3-Hydroxybutan-2-yl)pyridazin-3-one
CID 78917642
2-(2-Hydroxy-3-methylbutyl)pyridazin-3-one
CID 80449215
2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 103935360
2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 103935361
2-(3-Chloro-2-hydroxypropyl)-5-methylpyridazin-3-one
CID 106548475
2-(3-Bromo-2-hydroxypropyl)-5-methylpyridazin-3-one
CID 106548496

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxybutyl)-5-methylpyridazin-3-one (CID 106548856) is 2-(2-hydroxybutyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxybutyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxybutyl)-5-methylpyridazin-3-one is CCC(O)Cn1ncc(C)cc1=O.
What is the InChIKey of 2-(2-hydroxybutyl)-5-methylpyridazin-3-one?
The InChIKey is FMYKFKHKLMKPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-8(12)6-11-9(13)4-7(2)5-10-11/h4-5,8,12H,3,6H2,1-2H3.
What are the key properties of 2-(2-hydroxybutyl)-5-methylpyridazin-3-one?
2-(2-hydroxybutyl)-5-methylpyridazin-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).