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

C12H14N2O3S — CID 121349727

IUPACethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate
SMILESCCOC(=O)Cn1ncc2c(C)c(C)sc2c1=O
InChIInChI=1S/C12H14N2O3S/c1-4-17-10(15)6-14-12(16)11-9(5-13-14)7(2)8(3)18-11/h5H,4,6H2,1-3H3
InChIKeyDIKIRKIPMYLVTM-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.64
Rot. Bonds3

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

ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate (PubChem CID 121349727) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate
PubChem CID121349727
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Nameethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate
SMILESCCOC(=O)Cn1ncc2c(C)c(C)sc2c1=O
InChIInChI=1S/C12H14N2O3S/c1-4-17-10(15)6-14-12(16)11-9(5-13-14)7(2)8(3)18-11/h5H,4,6H2,1-3H3
InChIKeyDIKIRKIPMYLVTM-UHFFFAOYSA-N
XLogP1.64
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
The IUPAC name of ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate (CID 121349727) is ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
The canonical SMILES for ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate is CCOC(=O)Cn1ncc2c(C)c(C)sc2c1=O.
What is the InChIKey of ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
The InChIKey is DIKIRKIPMYLVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-4-17-10(15)6-14-12(16)11-9(5-13-14)7(2)8(3)18-11/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate has a molecular weight of 266.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate is sourced from PubChem (CID 121349727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).