6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine

C11H8ClN5S — CID 57478198

IUPAC6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
SMILESCSc1nccc(-c2cnc3ccc(Cl)nn23)n1
InChIInChI=1S/C11H8ClN5S/c1-18-11-13-5-4-7(15-11)8-6-14-10-3-2-9(12)16-17(8)10/h2-6H,1H3
InChIKeyIXLGSOSAHJAIGT-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.56
Rot. Bonds2

About 6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine

6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine (PubChem CID 57478198) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
PubChem CID57478198
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
SMILESCSc1nccc(-c2cnc3ccc(Cl)nn23)n1
InChIInChI=1S/C11H8ClN5S/c1-18-11-13-5-4-7(15-11)8-6-14-10-3-2-9(12)16-17(8)10/h2-6H,1H3
InChIKeyIXLGSOSAHJAIGT-UHFFFAOYSA-N
XLogP2.56
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine (CID 57478198) is 6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine is CSc1nccc(-c2cnc3ccc(Cl)nn23)n1.
What is the InChIKey of 6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine?
The InChIKey is IXLGSOSAHJAIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c1-18-11-13-5-4-7(15-11)8-6-14-10-3-2-9(12)16-17(8)10/h2-6H,1H3.
What are the key properties of 6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine?
6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine has a molecular weight of 277.74 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 57478198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).