2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one

C15H19N3O3 — CID 82420300

IUPAC2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
SMILESCCNCc1nn(-c2ccccc2OCC)c(=O)cc1O
InChIInChI=1S/C15H19N3O3/c1-3-16-10-11-13(19)9-15(20)18(17-11)12-7-5-6-8-14(12)21-4-2/h5-9,16,19H,3-4,10H2,1-2H3
InChIKeyLVHKCZQYXVDTHG-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.45
Rot. Bonds6

About 2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one

2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one (PubChem CID 82420300) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
PubChem CID82420300
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
SMILESCCNCc1nn(-c2ccccc2OCC)c(=O)cc1O
InChIInChI=1S/C15H19N3O3/c1-3-16-10-11-13(19)9-15(20)18(17-11)12-7-5-6-8-14(12)21-4-2/h5-9,16,19H,3-4,10H2,1-2H3
InChIKeyLVHKCZQYXVDTHG-UHFFFAOYSA-N
XLogP1.45
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420696
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
6-(butylaminomethyl)-2-(2,4-dimethylphenyl)-5-hydroxypyridazin-3-one
CID 82419180
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361782
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82420505
3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82467326
2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82421643
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82421558
N-[4-(diethylamino)butyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785323
N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798547

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
The IUPAC name of 2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one (CID 82420300) is 2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one is CCNCc1nn(-c2ccccc2OCC)c(=O)cc1O.
What is the InChIKey of 2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
The InChIKey is LVHKCZQYXVDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-16-10-11-13(19)9-15(20)18(17-11)12-7-5-6-8-14(12)21-4-2/h5-9,16,19H,3-4,10H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one has a molecular weight of 289.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one is sourced from PubChem (CID 82420300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).