6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one

C11H18N2O2 — CID 82442339

IUPAC6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(C(C)(C)O)ccc1=O
InChIInChI=1S/C11H18N2O2/c1-8(2)7-13-10(14)6-5-9(12-13)11(3,4)15/h5-6,8,15H,7H2,1-4H3
InChIKeyNDUHZSJHZXLHNC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.13
Rot. Bonds3

About 6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one

6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82442339) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82442339
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(C(C)(C)O)ccc1=O
InChIInChI=1S/C11H18N2O2/c1-8(2)7-13-10(14)6-5-9(12-13)11(3,4)15/h5-6,8,15H,7H2,1-4H3
InChIKeyNDUHZSJHZXLHNC-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Di(propan-2-yl)pyridazin-3-one
CID 58748005
6-(3-Hydroxy-3-methylpent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69967008
6-(3-Hydroxy-3,4-dimethylpent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 91594789
2-(2-Methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 138715793
2-(3-Methylbutyl)-6-propylpyridazin-3-one
CID 142690980
5-Hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one
CID 142777716
2-Ethyl-6-propan-2-ylpyridazin-3-one
CID 146745776
1-(2-Methylpropyl)-6-oxopyridazine-3-carboxylic acid
CID 43114824
1-(3-Methylbutyl)-6-oxopyridazine-3-carboxylic acid
CID 61414622
2-(3-Hydroxy-3-methylbutyl)-6-methylpyridazin-3-one
CID 79361714
6-(2-Hydroxypropan-2-yl)-2-methylpyridazin-3-one
CID 82442097
2-Ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82442178

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one (CID 82442339) is 6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1nc(C(C)(C)O)ccc1=O.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is NDUHZSJHZXLHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)7-13-10(14)6-5-9(12-13)11(3,4)15/h5-6,8,15H,7H2,1-4H3.
What are the key properties of 6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82442339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).