1,3-dimethylthieno[2,3-c]pyridazin-4-one

C8H8N2OS — CID 59061899

IUPAC1,3-dimethylthieno[2,3-c]pyridazin-4-one
SMILESCc1nn(C)c2sccc2c1=O
InChIInChI=1S/C8H8N2OS/c1-5-7(11)6-3-4-12-8(6)10(2)9-5/h3-4H,1-2H3
InChIKeySTAZHSMYJJFLIW-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.30
Rot. Bonds

About 1,3-dimethylthieno[2,3-c]pyridazin-4-one

1,3-dimethylthieno[2,3-c]pyridazin-4-one (PubChem CID 59061899) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 1,3-dimethylthieno[2,3-c]pyridazin-4-one.

Molecular Properties

Compound Name1,3-dimethylthieno[2,3-c]pyridazin-4-one
PubChem CID59061899
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name1,3-dimethylthieno[2,3-c]pyridazin-4-one
SMILESCc1nn(C)c2sccc2c1=O
InChIInChI=1S/C8H8N2OS/c1-5-7(11)6-3-4-12-8(6)10(2)9-5/h3-4H,1-2H3
InChIKeySTAZHSMYJJFLIW-UHFFFAOYSA-N
XLogP1.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethylthieno[2,3-c]pyridazin-4-one 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 1,3-dimethylthieno[2,3-c]pyridazin-4-one?
The IUPAC name of 1,3-dimethylthieno[2,3-c]pyridazin-4-one (CID 59061899) is 1,3-dimethylthieno[2,3-c]pyridazin-4-one.
What is the SMILES notation for 1,3-dimethylthieno[2,3-c]pyridazin-4-one?
The canonical SMILES for 1,3-dimethylthieno[2,3-c]pyridazin-4-one is Cc1nn(C)c2sccc2c1=O.
What is the InChIKey of 1,3-dimethylthieno[2,3-c]pyridazin-4-one?
The InChIKey is STAZHSMYJJFLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-7(11)6-3-4-12-8(6)10(2)9-5/h3-4H,1-2H3.
What are the key properties of 1,3-dimethylthieno[2,3-c]pyridazin-4-one?
1,3-dimethylthieno[2,3-c]pyridazin-4-one has a molecular weight of 180.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylthieno[2,3-c]pyridazin-4-one is sourced from PubChem (CID 59061899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).