4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one

C16H21N3O — CID 82443838

IUPAC4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one
SMILESCCNCc1cc(-c2ccc(CC)cc2)nn(C)c1=O
InChIInChI=1S/C16H21N3O/c1-4-12-6-8-13(9-7-12)15-10-14(11-17-5-2)16(20)19(3)18-15/h6-10,17H,4-5,11H2,1-3H3
InChIKeyXGLDDAWYTKHPKB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.12
Rot. Bonds5

About 4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one

4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one (PubChem CID 82443838) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one
PubChem CID82443838
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one
SMILESCCNCc1cc(-c2ccc(CC)cc2)nn(C)c1=O
InChIInChI=1S/C16H21N3O/c1-4-12-6-8-13(9-7-12)15-10-14(11-17-5-2)16(20)19(3)18-15/h6-10,17H,4-5,11H2,1-3H3
InChIKeyXGLDDAWYTKHPKB-UHFFFAOYSA-N
XLogP2.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82443803
6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82444010
6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444050
4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one
CID 82444570
2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82443800
6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
4-(butylaminomethyl)-6-(3,4-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443929
6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
CID 82444331
6-(3,4-dimethylphenyl)-4-[(2-methoxyethylamino)methyl]-2-methylpyridazin-3-one
CID 82443932
4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444307
2-methyl-4-(methylaminomethyl)-6-(4-propan-2-yloxyphenyl)pyridazin-3-one
CID 82444356
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one (CID 82443838) is 4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one is CCNCc1cc(-c2ccc(CC)cc2)nn(C)c1=O.
What is the InChIKey of 4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one?
The InChIKey is XGLDDAWYTKHPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-12-6-8-13(9-7-12)15-10-14(11-17-5-2)16(20)19(3)18-15/h6-10,17H,4-5,11H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one?
4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82443838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).