1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

C15H20N4OS — CID 3951444

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
SMILESCC1CC(C)CN(C(=O)CSc2nnc3ccccn23)C1
InChIInChI=1S/C15H20N4OS/c1-11-7-12(2)9-18(8-11)14(20)10-21-15-17-16-13-5-3-4-6-19(13)15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyZBFCKPROCQSUMS-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.33
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (PubChem CID 3951444) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
PubChem CID3951444
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
SMILESCC1CC(C)CN(C(=O)CSc2nnc3ccccn23)C1
InChIInChI=1S/C15H20N4OS/c1-11-7-12(2)9-18(8-11)14(20)10-21-15-17-16-13-5-3-4-6-19(13)15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyZBFCKPROCQSUMS-UHFFFAOYSA-N
XLogP2.33
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (CID 3951444) is 1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is CC1CC(C)CN(C(=O)CSc2nnc3ccccn23)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The InChIKey is ZBFCKPROCQSUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-7-12(2)9-18(8-11)14(20)10-21-15-17-16-13-5-3-4-6-19(13)15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone has a molecular weight of 304.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is sourced from PubChem (CID 3951444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).