3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine

C13H18N4S — CID 105061340

IUPAC3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(SCCC3CCNCC3)nnc2c1
InChIInChI=1S/C13H18N4S/c1-2-9-17-12(3-1)15-16-13(17)18-10-6-11-4-7-14-8-5-11/h1-3,9,11,14H,4-8,10H2
InChIKeyFRZWXIZPYIVBFL-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.21
Rot. Bonds4

About 3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 105061340) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID105061340
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(SCCC3CCNCC3)nnc2c1
InChIInChI=1S/C13H18N4S/c1-2-9-17-12(3-1)15-16-13(17)18-10-6-11-4-7-14-8-5-11/h1-3,9,11,14H,4-8,10H2
InChIKeyFRZWXIZPYIVBFL-UHFFFAOYSA-N
XLogP2.21
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 62848596
3-(cyclohexylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 172905900
N'-hydroxy-2,2-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 77062459
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]oxan-4-amine
CID 63098498
2-methyl-2-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentan-1-ol
CID 64808604
3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 55209832
4-fluoro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline
CID 62850910
3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 155507234
5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile
CID 60626204
2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 62850363
3-[2-(chloromethyl)prop-2-enylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 103066297
1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
CID 62850179

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 105061340) is 3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(SCCC3CCNCC3)nnc2c1.
What is the InChIKey of 3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FRZWXIZPYIVBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-2-9-17-12(3-1)15-16-13(17)18-10-6-11-4-7-14-8-5-11/h1-3,9,11,14H,4-8,10H2.
What are the key properties of 3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 262.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 105061340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).