2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one

C13H14ClN3O3 — CID 82420505

IUPAC2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
SMILESCNCc1nn(-c2cc(Cl)ccc2OC)c(=O)cc1O
InChIInChI=1S/C13H14ClN3O3/c1-15-7-9-11(18)6-13(19)17(16-9)10-5-8(14)3-4-12(10)20-2/h3-6,15,18H,7H2,1-2H3
InChIKeyWGWKBMMXTXLMTO-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.32
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one

2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one (PubChem CID 82420505) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
PubChem CID82420505
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
SMILESCNCc1nn(-c2cc(Cl)ccc2OC)c(=O)cc1O
InChIInChI=1S/C13H14ClN3O3/c1-15-7-9-11(18)6-13(19)17(16-9)10-5-8(14)3-4-12(10)20-2/h3-6,15,18H,7H2,1-2H3
InChIKeyWGWKBMMXTXLMTO-UHFFFAOYSA-N
XLogP1.32
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420509
2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420696
6-(chloromethyl)-2-(2,5-dimethoxyphenyl)-5-hydroxypyridazin-3-one
CID 82420697
2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82422260
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
1-(2,5-dimethoxyphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82420725
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
3-[1-(5-chloro-2-methylphenyl)-4-hydroxy-6-oxopyridazin-3-yl]propanoic acid
CID 82422270
1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420534
2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420300
2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
CID 82422065
[1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 39365870

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one (CID 82420505) is 2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one is CNCc1nn(-c2cc(Cl)ccc2OC)c(=O)cc1O.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one?
The InChIKey is WGWKBMMXTXLMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-15-7-9-11(18)6-13(19)17(16-9)10-5-8(14)3-4-12(10)20-2/h3-6,15,18H,7H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one?
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one has a molecular weight of 295.73 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one is sourced from PubChem (CID 82420505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).