ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate

C15H16N2O3 — CID 7671911

IUPACethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2C)ccc1=O
InChIInChI=1S/C15H16N2O3/c1-3-20-15(19)10-17-14(18)9-8-13(16-17)12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3
InChIKeyQOXGTKNPFAPCOA-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.78
Rot. Bonds4

About ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate

ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate (PubChem CID 7671911) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate
PubChem CID7671911
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2C)ccc1=O
InChIInChI=1S/C15H16N2O3/c1-3-20-15(19)10-17-14(18)9-8-13(16-17)12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3
InChIKeyQOXGTKNPFAPCOA-UHFFFAOYSA-N
XLogP1.78
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7671966
ethyl 4-[[2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7671956
6-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671973
N-(2-methoxyethyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224443
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate
CID 110193707
ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate
CID 11068777
N-(2,3-dichlorophenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672039
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672237
ethyl 2-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376514
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate (CID 7671911) is ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate is CCOC(=O)Cn1nc(-c2ccccc2C)ccc1=O.
What is the InChIKey of ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate?
The InChIKey is QOXGTKNPFAPCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-20-15(19)10-17-14(18)9-8-13(16-17)12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate?
ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate has a molecular weight of 272.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 7671911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).