5-ethylthieno[2,3-d]pyridazin-4-one

C8H8N2OS — CID 170196210

IUPAC5-ethylthieno[2,3-d]pyridazin-4-one
SMILESCCn1ncc2sccc2c1=O
InChIInChI=1S/C8H8N2OS/c1-2-10-8(11)6-3-4-12-7(6)5-9-10/h3-5H,2H2,1H3
InChIKeyBNGVRIQZODHEEJ-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.48
Rot. Bonds1

About 5-ethylthieno[2,3-d]pyridazin-4-one

5-ethylthieno[2,3-d]pyridazin-4-one (PubChem CID 170196210) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 5-ethylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name5-ethylthieno[2,3-d]pyridazin-4-one
PubChem CID170196210
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name5-ethylthieno[2,3-d]pyridazin-4-one
SMILESCCn1ncc2sccc2c1=O
InChIInChI=1S/C8H8N2OS/c1-2-10-8(11)6-3-4-12-7(6)5-9-10/h3-5H,2H2,1H3
InChIKeyBNGVRIQZODHEEJ-UHFFFAOYSA-N
XLogP1.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 5-ethylthieno[2,3-d]pyridazin-4-one (CID 170196210) is 5-ethylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 5-ethylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 5-ethylthieno[2,3-d]pyridazin-4-one is CCn1ncc2sccc2c1=O.
What is the InChIKey of 5-ethylthieno[2,3-d]pyridazin-4-one?
The InChIKey is BNGVRIQZODHEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-2-10-8(11)6-3-4-12-7(6)5-9-10/h3-5H,2H2,1H3.
What are the key properties of 5-ethylthieno[2,3-d]pyridazin-4-one?
5-ethylthieno[2,3-d]pyridazin-4-one has a molecular weight of 180.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 170196210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).