1,4-dimethylthieno[3,4-d]pyridazine

C8H8N2S — CID 22892588

IUPAC1,4-dimethylthieno[3,4-d]pyridazine
SMILESCc1nnc(C)c2cscc12
InChIInChI=1S/C8H8N2S/c1-5-7-3-11-4-8(7)6(2)10-9-5/h3-4H,1-2H3
InChIKeyPTFSURYCIAENFJ-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.31
Rot. Bonds

About 1,4-dimethylthieno[3,4-d]pyridazine

1,4-dimethylthieno[3,4-d]pyridazine (PubChem CID 22892588) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1,4-dimethylthieno[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4-dimethylthieno[3,4-d]pyridazine
PubChem CID22892588
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name1,4-dimethylthieno[3,4-d]pyridazine
SMILESCc1nnc(C)c2cscc12
InChIInChI=1S/C8H8N2S/c1-5-7-3-11-4-8(7)6(2)10-9-5/h3-4H,1-2H3
InChIKeyPTFSURYCIAENFJ-UHFFFAOYSA-N
XLogP2.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4-dimethylthieno[3,4-d]pyridazine 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 1,4-dimethylthieno[3,4-d]pyridazine?
The IUPAC name of 1,4-dimethylthieno[3,4-d]pyridazine (CID 22892588) is 1,4-dimethylthieno[3,4-d]pyridazine.
What is the SMILES notation for 1,4-dimethylthieno[3,4-d]pyridazine?
The canonical SMILES for 1,4-dimethylthieno[3,4-d]pyridazine is Cc1nnc(C)c2cscc12.
What is the InChIKey of 1,4-dimethylthieno[3,4-d]pyridazine?
The InChIKey is PTFSURYCIAENFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-5-7-3-11-4-8(7)6(2)10-9-5/h3-4H,1-2H3.
What are the key properties of 1,4-dimethylthieno[3,4-d]pyridazine?
1,4-dimethylthieno[3,4-d]pyridazine has a molecular weight of 164.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylthieno[3,4-d]pyridazine is sourced from PubChem (CID 22892588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).