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

C11H18N2O2 — CID 82442412

IUPAC2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one
SMILESCCCCn1nc(C(C)(C)O)ccc1=O
InChIInChI=1S/C11H18N2O2/c1-4-5-8-13-10(14)7-6-9(12-13)11(2,3)15/h6-7,15H,4-5,8H2,1-3H3
InChIKeyUACMCDUIMNVDTO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.27
Rot. Bonds4

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

2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one (PubChem CID 82442412) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one
PubChem CID82442412
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one
SMILESCCCCn1nc(C(C)(C)O)ccc1=O
InChIInChI=1S/C11H18N2O2/c1-4-5-8-13-10(14)7-6-9(12-13)11(2,3)15/h6-7,15H,4-5,8H2,1-3H3
InChIKeyUACMCDUIMNVDTO-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Hydroxy-3-methylpent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69967008
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
1-(3-Methylbutyl)-6-oxopyridazine-3-carboxylic acid
CID 61414622
1-butyl-N-(2-hydroxy-2-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 65114300
N-(2-hydroxy-2-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65114697
N-(2-hydroxy-2-methylbutyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 65114731
2-Butyl-6-(3-ethyl-3-hydroxyazetidine-1-carbonyl)pyridazin-3-one
CID 65950573
6-(3-Ethyl-3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 65953436
1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 79290593
2-(3-Hydroxy-3-methylbutyl)-6-methylpyridazin-3-one
CID 79361714

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one?
The IUPAC name of 2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one (CID 82442412) is 2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one is CCCCn1nc(C(C)(C)O)ccc1=O.
What is the InChIKey of 2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one?
The InChIKey is UACMCDUIMNVDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-8-13-10(14)7-6-9(12-13)11(2,3)15/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one?
2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one is sourced from PubChem (CID 82442412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).