2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one

C10H16N2O2 — CID 106548977

IUPAC2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(O)C(C)C)c(=O)c1
InChIInChI=1S/C10H16N2O2/c1-7(2)9(13)6-12-10(14)4-8(3)5-11-12/h4-5,7,9,13H,6H2,1-3H3
InChIKeyOPXVDGPUJPIZIB-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.57
Rot. Bonds3

About 2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one

2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one (PubChem CID 106548977) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one
PubChem CID106548977
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(O)C(C)C)c(=O)c1
InChIInChI=1S/C10H16N2O2/c1-7(2)9(13)6-12-10(14)4-8(3)5-11-12/h4-5,7,9,13H,6H2,1-3H3
InChIKeyOPXVDGPUJPIZIB-UHFFFAOYSA-N
XLogP0.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.57
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-Hydroxy-3,3-dimethylbutyl)pyridazin-3-one
CID 62849795
2-(2-Hydroxy-3-methylpentyl)pyridazin-3-one
CID 80448787
2-(2-Hydroxy-3-methylbutyl)pyridazin-3-one
CID 80449215
2-(3-Bromo-2-hydroxypropyl)-5-methylpyridazin-3-one
CID 106548496
2-[2-Hydroxy-3-(propylamino)propyl]-5-methylpyridazin-3-one
CID 106548636
2-[3-(Ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one
CID 106548641
2-(3-Amino-2-hydroxypropyl)-5-methylpyridazin-3-one
CID 106548642
2-(2-Hydroxyethyl)-5-methylpyridazin-3-one
CID 106548841
2-(2-Hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one
CID 106548843
2-(4-Hydroxybutyl)-5-methylpyridazin-3-one
CID 106548844

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one (CID 106548977) is 2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one is Cc1cnn(CC(O)C(C)C)c(=O)c1.
What is the InChIKey of 2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one?
The InChIKey is OPXVDGPUJPIZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)9(13)6-12-10(14)4-8(3)5-11-12/h4-5,7,9,13H,6H2,1-3H3.
What are the key properties of 2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one?
2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one has a molecular weight of 196.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methylbutyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).