2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one

C15H19N3O4 — CID 82420696

IUPAC2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
SMILESCCNCc1nn(-c2cc(OC)ccc2OC)c(=O)cc1O
InChIInChI=1S/C15H19N3O4/c1-4-16-9-11-13(19)8-15(20)18(17-11)12-7-10(21-2)5-6-14(12)22-3/h5-8,16,19H,4,9H2,1-3H3
InChIKeyORWMLYDXVATPMV-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.06
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one

2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one (PubChem CID 82420696) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
PubChem CID82420696
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
SMILESCCNCc1nn(-c2cc(OC)ccc2OC)c(=O)cc1O
InChIInChI=1S/C15H19N3O4/c1-4-16-9-11-13(19)8-15(20)18(17-11)12-7-10(21-2)5-6-14(12)22-3/h5-8,16,19H,4,9H2,1-3H3
InChIKeyORWMLYDXVATPMV-UHFFFAOYSA-N
XLogP1.06
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(chloromethyl)-2-(2,5-dimethoxyphenyl)-5-hydroxypyridazin-3-one
CID 82420697
1-(2,5-dimethoxyphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420726
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82420505
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
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420509
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
2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one
CID 82421632
1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420708
6-(butylaminomethyl)-2-(2,4-dimethylphenyl)-5-hydroxypyridazin-3-one
CID 82419180
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one (CID 82420696) is 2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one is CCNCc1nn(-c2cc(OC)ccc2OC)c(=O)cc1O.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
The InChIKey is ORWMLYDXVATPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-4-16-9-11-13(19)8-15(20)18(17-11)12-7-10(21-2)5-6-14(12)22-3/h5-8,16,19H,4,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one has a molecular weight of 305.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one is sourced from PubChem (CID 82420696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).