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

C14H18N4OS — CID 4085139

IUPAC1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nnc2ccccn12
InChIInChI=1S/C14H18N4OS/c1-11-6-2-4-8-17(11)13(19)10-20-14-16-15-12-7-3-5-9-18(12)14/h3,5,7,9,11H,2,4,6,8,10H2,1H3
InChIKeyFIPPWOGNCOQJQZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.22
Rot. Bonds3

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

1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (PubChem CID 4085139) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
PubChem CID4085139
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nnc2ccccn12
InChIInChI=1S/C14H18N4OS/c1-11-6-2-4-8-17(11)13(19)10-20-14-16-15-12-7-3-5-9-18(12)14/h3,5,7,9,11H,2,4,6,8,10H2,1H3
InChIKeyFIPPWOGNCOQJQZ-UHFFFAOYSA-N
XLogP2.22
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (CID 4085139) is 1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is CC1CCCCN1C(=O)CSc1nnc2ccccn12.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The InChIKey is FIPPWOGNCOQJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-11-6-2-4-8-17(11)13(19)10-20-14-16-15-12-7-3-5-9-18(12)14/h3,5,7,9,11H,2,4,6,8,10H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone has a molecular weight of 290.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is sourced from PubChem (CID 4085139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).