3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one

C15H19N3O2 — CID 82421029

IUPAC3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
SMILESCCNCc1nn(-c2cccc(OC)c2)c(C)cc1=O
InChIInChI=1S/C15H19N3O2/c1-4-16-10-14-15(19)8-11(2)18(17-14)12-6-5-7-13(9-12)20-3/h5-9,16H,4,10H2,1-3H3
InChIKeyXPBFLMUGTROFRK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.66
Rot. Bonds5

About 3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one

3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one (PubChem CID 82421029) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
PubChem CID82421029
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
SMILESCCNCc1nn(-c2cccc(OC)c2)c(C)cc1=O
InChIInChI=1S/C15H19N3O2/c1-4-16-10-14-15(19)8-11(2)18(17-14)12-6-5-7-13(9-12)20-3/h5-9,16H,4,10H2,1-3H3
InChIKeyXPBFLMUGTROFRK-UHFFFAOYSA-N
XLogP1.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridazin-4-one
CID 82421034
1-(2,5-dimethoxyphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420726
3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride
CID 82421053
1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420484
1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420193
1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82419228
1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82421038
3-[(butan-2-ylamino)methyl]-1-(3-chlorophenyl)-6-methylpyridazin-4-one
CID 82419695
1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420277
1-(3,4-difluorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420959
6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
CID 82421725

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one (CID 82421029) is 3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one is CCNCc1nn(-c2cccc(OC)c2)c(C)cc1=O.
What is the InChIKey of 3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one?
The InChIKey is XPBFLMUGTROFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-16-10-14-15(19)8-11(2)18(17-14)12-6-5-7-13(9-12)20-3/h5-9,16H,4,10H2,1-3H3.
What are the key properties of 3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one?
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82421029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).