3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine

C16H20N4OS — CID 133349542

IUPAC3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine
SMILESCSc1ccc(N2CCC(COc3ccccn3)CC2)nn1
InChIInChI=1S/C16H20N4OS/c1-22-16-6-5-14(18-19-16)20-10-7-13(8-11-20)12-21-15-4-2-3-9-17-15/h2-6,9,13H,7-8,10-12H2,1H3
InChIKeyKSUWFOPTMBVVKI-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.89
Rot. Bonds5

About 3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine

3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine (PubChem CID 133349542) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine
PubChem CID133349542
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine
SMILESCSc1ccc(N2CCC(COc3ccccn3)CC2)nn1
InChIInChI=1S/C16H20N4OS/c1-22-16-6-5-14(18-19-16)20-10-7-13(8-11-20)12-21-15-4-2-3-9-17-15/h2-6,9,13H,7-8,10-12H2,1H3
InChIKeyKSUWFOPTMBVVKI-UHFFFAOYSA-N
XLogP2.89
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605956
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
2-fluoro-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349592
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]quinoline
CID 133349552
3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one
CID 126874409
2-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazine
CID 126874169
6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 126874369
3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine
CID 133390580
3-methylsulfanyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412698
5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349588
2-methyl-1-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol
CID 111543946
1-methyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 126874144

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine (CID 133349542) is 3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine is CSc1ccc(N2CCC(COc3ccccn3)CC2)nn1.
What is the InChIKey of 3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine?
The InChIKey is KSUWFOPTMBVVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-22-16-6-5-14(18-19-16)20-10-7-13(8-11-20)12-21-15-4-2-3-9-17-15/h2-6,9,13H,7-8,10-12H2,1H3.
What are the key properties of 3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine?
3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine has a molecular weight of 316.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 133349542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).