6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one

C12H13N3O2S — CID 6619969

IUPAC6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one
SMILESO=C(Cn1ncc2ccsc2c1=O)N1CCCC1
InChIInChI=1S/C12H13N3O2S/c16-10(14-4-1-2-5-14)8-15-12(17)11-9(7-13-15)3-6-18-11/h3,6-7H,1-2,4-5,8H2
InChIKeyGXRCJUHXDSFLLA-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.08
Rot. Bonds2

About 6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one

6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one (PubChem CID 6619969) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one
PubChem CID6619969
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one
SMILESO=C(Cn1ncc2ccsc2c1=O)N1CCCC1
InChIInChI=1S/C12H13N3O2S/c16-10(14-4-1-2-5-14)8-15-12(17)11-9(7-13-15)3-6-18-11/h3,6-7H,1-2,4-5,8H2
InChIKeyGXRCJUHXDSFLLA-UHFFFAOYSA-N
XLogP1.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one?
The IUPAC name of 6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one (CID 6619969) is 6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one.
What is the SMILES notation for 6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one?
The canonical SMILES for 6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one is O=C(Cn1ncc2ccsc2c1=O)N1CCCC1.
What is the InChIKey of 6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one?
The InChIKey is GXRCJUHXDSFLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-10(14-4-1-2-5-14)8-15-12(17)11-9(7-13-15)3-6-18-11/h3,6-7H,1-2,4-5,8H2.
What are the key properties of 6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one?
6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one has a molecular weight of 263.32 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyridazin-7-one is sourced from PubChem (CID 6619969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).