methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate

C11H10N2O3S — CID 51043067

IUPACmethyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
SMILESCOC(=O)Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C11H10N2O3S/c1-16-11(15)7-13-10(14)5-4-8(12-13)9-3-2-6-17-9/h2-6H,7H2,1H3
InChIKeyJMFHMFMLBBPBDI-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.14
Rot. Bonds3

About methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate

methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate (PubChem CID 51043067) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
PubChem CID51043067
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Namemethyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
SMILESCOC(=O)Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C11H10N2O3S/c1-16-11(15)7-13-10(14)5-4-8(12-13)9-3-2-6-17-9/h2-6H,7H2,1H3
InChIKeyJMFHMFMLBBPBDI-UHFFFAOYSA-N
XLogP1.14
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121214175
2-phenacyl-6-thiophen-2-ylpyridazin-3-one
CID 43818842
2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
CID 51053856
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7443510
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
N-(2-methylsulfanylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049895
N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 121049992
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049951
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenoxyethyl)acetamide
CID 121049977
methyl 5-(2-methylpropyl)-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71709990

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate?
The IUPAC name of methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate (CID 51043067) is methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate?
The canonical SMILES for methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate is COC(=O)Cn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate?
The InChIKey is JMFHMFMLBBPBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-16-11(15)7-13-10(14)5-4-8(12-13)9-3-2-6-17-9/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate?
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate has a molecular weight of 250.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate is sourced from PubChem (CID 51043067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).