5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one

C17H23N3O — CID 106548507

IUPAC5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one
SMILESCCCNC(Cn1ncc(C)cc1=O)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-4-9-18-16(15-7-5-13(2)6-8-15)12-20-17(21)10-14(3)11-19-20/h5-8,10-11,16,18H,4,9,12H2,1-3H3
InChIKeyLXHFEMAMGVUNRL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.60
Rot. Bonds6

About 5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one

5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one (PubChem CID 106548507) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one
PubChem CID106548507
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one
SMILESCCCNC(Cn1ncc(C)cc1=O)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-4-9-18-16(15-7-5-13(2)6-8-15)12-20-17(21)10-14(3)11-19-20/h5-8,10-11,16,18H,4,9,12H2,1-3H3
InChIKeyLXHFEMAMGVUNRL-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one
CID 106548589
5-methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521
2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548613
5-methyl-2-[3-methyl-2-(methylamino)pentyl]pyridazin-3-one
CID 106548526
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one
CID 79469491
2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
CID 106548563
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656607
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646982
2-acetamido-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548377
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one (CID 106548507) is 5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one is CCCNC(Cn1ncc(C)cc1=O)c1ccc(C)cc1.
What is the InChIKey of 5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one?
The InChIKey is LXHFEMAMGVUNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-9-18-16(15-7-5-13(2)6-8-15)12-20-17(21)10-14(3)11-19-20/h5-8,10-11,16,18H,4,9,12H2,1-3H3.
What are the key properties of 5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one?
5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one has a molecular weight of 285.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 106548507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).