6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine

C8H11BrN2S — CID 58095862

IUPAC6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine
SMILESCN1CCc2sc(Br)cc2N1C
InChIInChI=1S/C8H11BrN2S/c1-10-4-3-7-6(11(10)2)5-8(9)12-7/h5H,3-4H2,1-2H3
InChIKeyYJSKOCGLOIKJED-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.35
Rot. Bonds

About 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine

6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine (PubChem CID 58095862) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine.

Molecular Properties

Compound Name6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine
PubChem CID58095862
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine
SMILESCN1CCc2sc(Br)cc2N1C
InChIInChI=1S/C8H11BrN2S/c1-10-4-3-7-6(11(10)2)5-8(9)12-7/h5H,3-4H2,1-2H3
InChIKeyYJSKOCGLOIKJED-UHFFFAOYSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]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 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine?
The IUPAC name of 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine (CID 58095862) is 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine.
What is the SMILES notation for 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine?
The canonical SMILES for 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine is CN1CCc2sc(Br)cc2N1C.
What is the InChIKey of 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine?
The InChIKey is YJSKOCGLOIKJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c1-10-4-3-7-6(11(10)2)5-8(9)12-7/h5H,3-4H2,1-2H3.
What are the key properties of 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine?
6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine has a molecular weight of 247.16 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine is sourced from PubChem (CID 58095862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).