4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine

C11H15BrN2OS — CID 117105520

IUPAC4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine
SMILESCOc1nnc(CC2CCSCC2)cc1Br
InChIInChI=1S/C11H15BrN2OS/c1-15-11-10(12)7-9(13-14-11)6-8-2-4-16-5-3-8/h7-8H,2-6H2,1H3
InChIKeyMYQIFLKOQLHWOU-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.93
Rot. Bonds3

About 4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine

4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine (PubChem CID 117105520) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine.

Molecular Properties

Compound Name4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine
PubChem CID117105520
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine
SMILESCOc1nnc(CC2CCSCC2)cc1Br
InChIInChI=1S/C11H15BrN2OS/c1-15-11-10(12)7-9(13-14-11)6-8-2-4-16-5-3-8/h7-8H,2-6H2,1H3
InChIKeyMYQIFLKOQLHWOU-UHFFFAOYSA-N
XLogP2.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3-methoxy-6-(thian-4-ylmethyl)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 4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine?
The IUPAC name of 4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine (CID 117105520) is 4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine.
What is the SMILES notation for 4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine?
The canonical SMILES for 4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine is COc1nnc(CC2CCSCC2)cc1Br.
What is the InChIKey of 4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine?
The InChIKey is MYQIFLKOQLHWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-15-11-10(12)7-9(13-14-11)6-8-2-4-16-5-3-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine?
4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine has a molecular weight of 303.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine is sourced from PubChem (CID 117105520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).