3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine

C12H19N3S — CID 133381363

IUPAC3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine
SMILESCCC1CCCCN1c1ccc(SC)nn1
InChIInChI=1S/C12H19N3S/c1-3-10-6-4-5-9-15(10)11-7-8-12(16-2)14-13-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyZWZSWBCTPWFPJL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.97
Rot. Bonds3

About 3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine

3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine (PubChem CID 133381363) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine
PubChem CID133381363
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine
SMILESCCC1CCCCN1c1ccc(SC)nn1
InChIInChI=1S/C12H19N3S/c1-3-10-6-4-5-9-15(10)11-7-8-12(16-2)14-13-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyZWZSWBCTPWFPJL-UHFFFAOYSA-N
XLogP2.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine (CID 133381363) is 3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine is CCC1CCCCN1c1ccc(SC)nn1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine?
The InChIKey is ZWZSWBCTPWFPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-3-10-6-4-5-9-15(10)11-7-8-12(16-2)14-13-11/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine?
3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine has a molecular weight of 237.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-6-methylsulfanylpyridazine is sourced from PubChem (CID 133381363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).