2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one

C11H18N2O2 — CID 106548994

IUPAC2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(O)C(C)(C)C)c(=O)c1
InChIInChI=1S/C11H18N2O2/c1-8-5-10(15)13(12-6-8)7-9(14)11(2,3)4/h5-6,9,14H,7H2,1-4H3
InChIKeyAZBFUKJMBLCKSX-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.96
Rot. Bonds2

About 2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one

2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one (PubChem CID 106548994) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one
PubChem CID106548994
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(O)C(C)(C)C)c(=O)c1
InChIInChI=1S/C11H18N2O2/c1-8-5-10(15)13(12-6-8)7-9(14)11(2,3)4/h5-6,9,14H,7H2,1-4H3
InChIKeyAZBFUKJMBLCKSX-UHFFFAOYSA-N
XLogP0.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.96
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-methylbutyl)pyridazin-3-one
CID 80449215
2-[2-Hydroxy-3-(propylamino)propyl]-5-methylpyridazin-3-one
CID 106548636
2-[3-(Ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one
CID 106548641
2-(2-Hydroxyethyl)-5-methylpyridazin-3-one
CID 106548841
2-(4-Hydroxybutyl)-5-methylpyridazin-3-one
CID 106548844
2-(3-Hydroxypropyl)-5-methylpyridazin-3-one
CID 106548845
2-(2-Hydroxypropyl)-5-methylpyridazin-3-one
CID 106548847
2-(2,3-Dihydroxypropyl)-5-methylpyridazin-3-one
CID 106548849
2-(3-Hydroxybutan-2-yl)-5-methylpyridazin-3-one
CID 106548854

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one (CID 106548994) is 2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one is Cc1cnn(CC(O)C(C)(C)C)c(=O)c1.
What is the InChIKey of 2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
The InChIKey is AZBFUKJMBLCKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-5-10(15)13(12-6-8)7-9(14)11(2,3)4/h5-6,9,14H,7H2,1-4H3.
What are the key properties of 2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one has a molecular weight of 210.28 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3,3-dimethylbutyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).