2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one

C10H16N2O3 — CID 105062054

IUPAC2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)C(C)C)n1
InChIInChI=1S/C10H16N2O3/c1-7(2)8(13)6-12-10(14)5-4-9(11-12)15-3/h4-5,7-8,13H,6H2,1-3H3
InChIKeyZBBRHSIGRYYEAN-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.27
Rot. Bonds4

About 2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one

2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one (PubChem CID 105062054) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one
PubChem CID105062054
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)C(C)C)n1
InChIInChI=1S/C10H16N2O3/c1-7(2)8(13)6-12-10(14)5-4-9(11-12)15-3/h4-5,7-8,13H,6H2,1-3H3
InChIKeyZBBRHSIGRYYEAN-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-6-methoxy-2,3-dihydropyridazin-3-one
CID 165786767
2-(2-Hydroxy-3,3-dimethylbutyl)pyridazin-3-one
CID 62849795
2-(2-Hydroxy-3-methylbutyl)-6-methylpyridazin-3-one
CID 80448877
2-(2-Hydroxy-3-methylbutyl)pyridazin-3-one
CID 80449215
2-(3-Bromo-2-hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061612
2-[2-Hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one
CID 105061736
2-[3-(Ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one
CID 105061738
2-(3-Amino-2-hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061739
2-(2,3-Dihydroxypropyl)-6-methoxypyridazin-3-one
CID 105061939
2-(2-Hydroxyethyl)-6-methoxypyridazin-3-one
CID 105061940
2-(4-Hydroxybutyl)-6-methoxypyridazin-3-one
CID 105061941
2-(2-Hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061942

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one (CID 105062054) is 2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(O)C(C)C)n1.
What is the InChIKey of 2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one?
The InChIKey is ZBBRHSIGRYYEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)8(13)6-12-10(14)5-4-9(11-12)15-3/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of 2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one?
2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one has a molecular weight of 212.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).