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

C9H14N2O2 — CID 106548855

IUPAC2-(3-hydroxybutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCC(C)O)c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-7-5-9(13)11(10-6-7)4-3-8(2)12/h5-6,8,12H,3-4H2,1-2H3
InChIKeyHYBREFPTVGYIMX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.32
Rot. Bonds3

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

2-(3-hydroxybutyl)-5-methylpyridazin-3-one (PubChem CID 106548855) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(3-hydroxybutyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxybutyl)-5-methylpyridazin-3-one
PubChem CID106548855
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(3-hydroxybutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCC(C)O)c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-7-5-9(13)11(10-6-7)4-3-8(2)12/h5-6,8,12H,3-4H2,1-2H3
InChIKeyHYBREFPTVGYIMX-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-(5-chloro-3-methylpentyl)-5-methylpyridazin-3-one
CID 106548483
5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
CID 106549124
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-(2-aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528
2-(4-aminobutyl)-5-methylpyridazin-3-one
CID 106548370
3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548665
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
2-(3-hydroxybutyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114396739
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one
CID 106548736
2-(2-aminopentyl)-5-methylpyridazin-3-one
CID 106548547
methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548424

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(3-hydroxybutyl)-5-methylpyridazin-3-one (CID 106548855) is 2-(3-hydroxybutyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxybutyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(3-hydroxybutyl)-5-methylpyridazin-3-one is Cc1cnn(CCC(C)O)c(=O)c1.
What is the InChIKey of 2-(3-hydroxybutyl)-5-methylpyridazin-3-one?
The InChIKey is HYBREFPTVGYIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-5-9(13)11(10-6-7)4-3-8(2)12/h5-6,8,12H,3-4H2,1-2H3.
What are the key properties of 2-(3-hydroxybutyl)-5-methylpyridazin-3-one?
2-(3-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-(3-hydroxybutyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).