2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride

C12H16ClN3O2S — CID 87330897

IUPAC2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride
SMILESCCCc1ccc2nc(CCC)c(S(=O)(=O)Cl)n2n1
InChIInChI=1S/C12H16ClN3O2S/c1-3-5-9-7-8-11-14-10(6-4-2)12(16(11)15-9)19(13,17)18/h7-8H,3-6H2,1-2H3
InChIKeyXJLXVLCBQJHSKD-UHFFFAOYSA-N
MW301.80 g/mol
LogP2.56
Rot. Bonds5

About 2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride

2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride (PubChem CID 87330897) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is 2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride.

Molecular Properties

Compound Name2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride
PubChem CID87330897
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride
SMILESCCCc1ccc2nc(CCC)c(S(=O)(=O)Cl)n2n1
InChIInChI=1S/C12H16ClN3O2S/c1-3-5-9-7-8-11-14-10(6-4-2)12(16(11)15-9)19(13,17)18/h7-8H,3-6H2,1-2H3
InChIKeyXJLXVLCBQJHSKD-UHFFFAOYSA-N
XLogP2.56
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride?
The IUPAC name of 2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride (CID 87330897) is 2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride.
What is the SMILES notation for 2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride?
The canonical SMILES for 2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride is CCCc1ccc2nc(CCC)c(S(=O)(=O)Cl)n2n1.
What is the InChIKey of 2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride?
The InChIKey is XJLXVLCBQJHSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S/c1-3-5-9-7-8-11-14-10(6-4-2)12(16(11)15-9)19(13,17)18/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride?
2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride has a molecular weight of 301.80 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride is sourced from PubChem (CID 87330897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).