ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate

C13H16N2O3S — CID 168979811

IUPACethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate
SMILESCCOC(=O)Cn1nc(CC)c2cc(C)sc2c1=O
InChIInChI=1S/C13H16N2O3S/c1-4-10-9-6-8(3)19-12(9)13(17)15(14-10)7-11(16)18-5-2/h6H,4-5,7H2,1-3H3
InChIKeyAGUQGUAHEJUGRQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.89
Rot. Bonds4

About ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate

ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate (PubChem CID 168979811) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate
PubChem CID168979811
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Nameethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate
SMILESCCOC(=O)Cn1nc(CC)c2cc(C)sc2c1=O
InChIInChI=1S/C13H16N2O3S/c1-4-10-9-6-8(3)19-12(9)13(17)15(14-10)7-11(16)18-5-2/h6H,4-5,7H2,1-3H3
InChIKeyAGUQGUAHEJUGRQ-UHFFFAOYSA-N
XLogP1.89
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
The IUPAC name of ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate (CID 168979811) is ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
The canonical SMILES for ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate is CCOC(=O)Cn1nc(CC)c2cc(C)sc2c1=O.
What is the InChIKey of ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
The InChIKey is AGUQGUAHEJUGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-4-10-9-6-8(3)19-12(9)13(17)15(14-10)7-11(16)18-5-2/h6H,4-5,7H2,1-3H3.
What are the key properties of ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate has a molecular weight of 280.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethyl-2-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate is sourced from PubChem (CID 168979811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).