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

C14H18N4OS — CID 2087343

IUPAC1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
SMILESCC1CCN(C(=O)CSc2nnc3ccccn23)CC1
InChIInChI=1S/C14H18N4OS/c1-11-5-8-17(9-6-11)13(19)10-20-14-16-15-12-4-2-3-7-18(12)14/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyCIWHBYXXPDISNL-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.08
Rot. Bonds3

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

1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (PubChem CID 2087343) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
PubChem CID2087343
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
SMILESCC1CCN(C(=O)CSc2nnc3ccccn23)CC1
InChIInChI=1S/C14H18N4OS/c1-11-5-8-17(9-6-11)13(19)10-20-14-16-15-12-4-2-3-7-18(12)14/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyCIWHBYXXPDISNL-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (CID 2087343) is 1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is CC1CCN(C(=O)CSc2nnc3ccccn23)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The InChIKey is CIWHBYXXPDISNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-11-5-8-17(9-6-11)13(19)10-20-14-16-15-12-4-2-3-7-18(12)14/h2-4,7,11H,5-6,8-10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
1-(4-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 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is sourced from PubChem (CID 2087343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).