1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one

C16H20N2O3 — CID 82420042

IUPAC1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one
SMILESCCOc1ccc(-n2nc(C(C)(C)O)c(=O)cc2C)cc1
InChIInChI=1S/C16H20N2O3/c1-5-21-13-8-6-12(7-9-13)18-11(2)10-14(19)15(17-18)16(3,4)20/h6-10,20H,5H2,1-4H3
InChIKeyZNSLYFJXAHHWQM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one

1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one (PubChem CID 82420042) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one
PubChem CID82420042
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one
SMILESCCOc1ccc(-n2nc(C(C)(C)O)c(=O)cc2C)cc1
InChIInChI=1S/C16H20N2O3/c1-5-21-13-8-6-12(7-9-13)18-11(2)10-14(19)15(17-18)16(3,4)20/h6-10,20H,5H2,1-4H3
InChIKeyZNSLYFJXAHHWQM-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82420041
1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 82420049
5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
CID 82420020
3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one
CID 82419803
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27676187
1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420007
ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate
CID 1234267
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369
1-(4-ethoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82420002
1-(4-ethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82420006
1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27655572
5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 114020821

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one (CID 82420042) is 1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one is CCOc1ccc(-n2nc(C(C)(C)O)c(=O)cc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one?
The InChIKey is ZNSLYFJXAHHWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-21-13-8-6-12(7-9-13)18-11(2)10-14(19)15(17-18)16(3,4)20/h6-10,20H,5H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one?
1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one has a molecular weight of 288.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82420042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).