(2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C13H16N4OS — CID 71923473

IUPAC(2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc3nncn3c2)CCS1
InChIInChI=1S/C13H16N4OS/c1-13(2)8-16(5-6-19-13)12(18)10-3-4-11-15-14-9-17(11)7-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyXSQYQOLKOACKRK-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.70
Rot. Bonds1

About (2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

(2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 71923473) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is (2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID71923473
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name(2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc3nncn3c2)CCS1
InChIInChI=1S/C13H16N4OS/c1-13(2)8-16(5-6-19-13)12(18)10-3-4-11-15-14-9-17(11)7-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyXSQYQOLKOACKRK-UHFFFAOYSA-N
XLogP1.70
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96570693
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284
piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97211491
(2,2-dimethylthiomorpholin-4-yl)-[4-(triazol-1-yl)phenyl]methanone
CID 166188216
[4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119328217
(2,2-dimethylthiomorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115683387
[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96513290
(5-bromo-3-pyridinyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 115683389
[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 136587994
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71871964
(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 124661275
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 107457765

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 71923473) is (2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for (2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for (2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is CC1(C)CN(C(=O)c2ccc3nncn3c2)CCS1.
What is the InChIKey of (2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is XSQYQOLKOACKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-13(2)8-16(5-6-19-13)12(18)10-3-4-11-15-14-9-17(11)7-10/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of (2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
(2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 276.36 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 71923473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).