2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one

C16H21N3O — CID 106548589

IUPAC2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one
SMILESCCc1ccc(C(Cn2ncc(C)cc2=O)NC)cc1
InChIInChI=1S/C16H21N3O/c1-4-13-5-7-14(8-6-13)15(17-3)11-19-16(20)9-12(2)10-18-19/h5-10,15,17H,4,11H2,1-3H3
InChIKeyPBJAKADSTNBQHY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.07
Rot. Bonds5

About 2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one

2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one (PubChem CID 106548589) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one
PubChem CID106548589
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one
SMILESCCc1ccc(C(Cn2ncc(C)cc2=O)NC)cc1
InChIInChI=1S/C16H21N3O/c1-4-13-5-7-14(8-6-13)15(17-3)11-19-16(20)9-12(2)10-18-19/h5-10,15,17H,4,11H2,1-3H3
InChIKeyPBJAKADSTNBQHY-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one
CID 106548507
5-methyl-2-[3-methyl-2-(methylamino)pentyl]pyridazin-3-one
CID 106548526
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548613
2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one
CID 114228634
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 82693699
2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 62851014
2-(4-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105101832
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80579849
2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one
CID 107523246

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one (CID 106548589) is 2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one is CCc1ccc(C(Cn2ncc(C)cc2=O)NC)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one?
The InChIKey is PBJAKADSTNBQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-13-5-7-14(8-6-13)15(17-3)11-19-16(20)9-12(2)10-18-19/h5-10,15,17H,4,11H2,1-3H3.
What are the key properties of 2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one?
2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).