6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one

C17H22N2O3 — CID 82445000

IUPAC6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
SMILESCCOc1ccccc1-c1cc(C(C)(C)O)c(=O)n(CC)n1
InChIInChI=1S/C17H22N2O3/c1-5-19-16(20)13(17(3,4)21)11-14(18-19)12-9-7-8-10-15(12)22-6-2/h7-11,21H,5-6H2,1-4H3
InChIKeyOOBMXJBADANIJQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.56
Rot. Bonds5

About 6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one

6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one (PubChem CID 82445000) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
PubChem CID82445000
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
SMILESCCOc1ccccc1-c1cc(C(C)(C)O)c(=O)n(CC)n1
InChIInChI=1S/C17H22N2O3/c1-5-19-16(20)13(17(3,4)21)11-14(18-19)12-9-7-8-10-15(12)22-6-2/h7-11,21H,5-6H2,1-4H3
InChIKeyOOBMXJBADANIJQ-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444996
6-(3-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445060
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82444919
[3-(2-ethoxyphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761609
2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
CID 82445328
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467618
4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
CID 82446598
2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
CID 43348917
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one?
The IUPAC name of 6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one (CID 82445000) is 6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one.
What is the SMILES notation for 6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one?
The canonical SMILES for 6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one is CCOc1ccccc1-c1cc(C(C)(C)O)c(=O)n(CC)n1.
What is the InChIKey of 6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one?
The InChIKey is OOBMXJBADANIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-19-16(20)13(17(3,4)21)11-14(18-19)12-9-7-8-10-15(12)22-6-2/h7-11,21H,5-6H2,1-4H3.
What are the key properties of 6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one?
6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one has a molecular weight of 302.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one is sourced from PubChem (CID 82445000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).