methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate

C14H16N2O3 — CID 132541266

IUPACmethyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
SMILESCOC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C14H16N2O3/c1-10-3-5-11(6-4-10)12-7-8-13(17)16(15-12)9-14(18)19-2/h3-6H,7-9H2,1-2H3
InChIKeyJPKHCKAZLZXXHW-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.49
Rot. Bonds3

About methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate

methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate (PubChem CID 132541266) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
PubChem CID132541266
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
SMILESCOC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C14H16N2O3/c1-10-3-5-11(6-4-10)12-7-8-13(17)16(15-12)9-14(18)19-2/h3-6H,7-9H2,1-2H3
InChIKeyJPKHCKAZLZXXHW-UHFFFAOYSA-N
XLogP1.49
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
CID 118871578
N-cyclopropyl-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15996433
N-[2-(dimethylamino)ethyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15998522
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968351
2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid
CID 118871559
N-(3-ethoxypropyl)-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968523
3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 46372556
ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate
CID 167767691
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 145131523
N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46372560
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 15997935
bis[1-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]butan-2-yl] butanedioate
CID 70604000

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate (CID 132541266) is methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate is COC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O.
What is the InChIKey of methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
The InChIKey is JPKHCKAZLZXXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-3-5-11(6-4-10)12-7-8-13(17)16(15-12)9-14(18)19-2/h3-6H,7-9H2,1-2H3.
What are the key properties of methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate has a molecular weight of 260.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate is sourced from PubChem (CID 132541266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).