2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine

C15H13Cl2N3S — CID 56666563

IUPAC2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
SMILESCCCSc1ccc2nc(-c3ccc(Cl)cc3Cl)cn2n1
InChIInChI=1S/C15H13Cl2N3S/c1-2-7-21-15-6-5-14-18-13(9-20(14)19-15)11-4-3-10(16)8-12(11)17/h3-6,8-9H,2,7H2,1H3
InChIKeyBRKYYROYYGVZDL-UHFFFAOYSA-N
MW338.26 g/mol
LogP5.21
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine

2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine (PubChem CID 56666563) has the molecular formula C15H13Cl2N3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
PubChem CID56666563
Molecular FormulaC15H13Cl2N3S
Molecular Weight338.26 g/mol
Exact Mass337.02
IUPAC Name2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
SMILESCCCSc1ccc2nc(-c3ccc(Cl)cc3Cl)cn2n1
InChIInChI=1S/C15H13Cl2N3S/c1-2-7-21-15-6-5-14-18-13(9-20(14)19-15)11-4-3-10(16)8-12(11)17/h3-6,8-9H,2,7H2,1H3
InChIKeyBRKYYROYYGVZDL-UHFFFAOYSA-N
XLogP5.21
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.26
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine (CID 56666563) is 2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine is CCCSc1ccc2nc(-c3ccc(Cl)cc3Cl)cn2n1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The InChIKey is BRKYYROYYGVZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3S/c1-2-7-21-15-6-5-14-18-13(9-20(14)19-15)11-4-3-10(16)8-12(11)17/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine has a molecular weight of 338.26 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 56666563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).