ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate

C10H10N2O3S — CID 169098790

IUPACethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate
SMILESCCOC(=O)Cn1ncc2sccc2c1=O
InChIInChI=1S/C10H10N2O3S/c1-2-15-9(13)6-12-10(14)7-3-4-16-8(7)5-11-12/h3-5H,2,6H2,1H3
InChIKeyBUWCHRWAVIHVFB-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.02
Rot. Bonds3

About ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate

ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate (PubChem CID 169098790) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate
PubChem CID169098790
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Nameethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate
SMILESCCOC(=O)Cn1ncc2sccc2c1=O
InChIInChI=1S/C10H10N2O3S/c1-2-15-9(13)6-12-10(14)7-3-4-16-8(7)5-11-12/h3-5H,2,6H2,1H3
InChIKeyBUWCHRWAVIHVFB-UHFFFAOYSA-N
XLogP1.02
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate?
The IUPAC name of ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate (CID 169098790) is ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate?
The canonical SMILES for ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate is CCOC(=O)Cn1ncc2sccc2c1=O.
What is the InChIKey of ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate?
The InChIKey is BUWCHRWAVIHVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-2-15-9(13)6-12-10(14)7-3-4-16-8(7)5-11-12/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate?
ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate has a molecular weight of 238.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetate is sourced from PubChem (CID 169098790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).