(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol

C14H13N3OS — CID 55238535

IUPAC(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2nnc3ccccn23)cc1
InChIInChI=1S/C14H13N3OS/c1-10(18)11-5-7-12(8-6-11)19-14-16-15-13-4-2-3-9-17(13)14/h2-10,18H,1H3/t10-/m1/s1
InChIKeyQOUOLBLZBOHGGG-SNVBAGLBSA-N
MW271.35 g/mol
LogP2.93
Rot. Bonds3

About (1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol

(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol (PubChem CID 55238535) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is (1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol
PubChem CID55238535
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2nnc3ccccn23)cc1
InChIInChI=1S/C14H13N3OS/c1-10(18)11-5-7-12(8-6-11)19-14-16-15-13-4-2-3-9-17(13)14/h2-10,18H,1H3/t10-/m1/s1
InChIKeyQOUOLBLZBOHGGG-SNVBAGLBSA-N
XLogP2.93
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]butan-2-amine
CID 63819025
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63820038
2,3-dimethyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-ol
CID 114399591
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline
CID 55132687
(1R)-1-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63371478
1-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 62912279
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
CID 55023570
3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline
CID 62851222
1-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylethanamine
CID 62912278
1-(propan-2-ylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 62851233
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol (CID 55238535) is (1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol is C[C@@H](O)c1ccc(Sc2nnc3ccccn23)cc1.
What is the InChIKey of (1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol?
The InChIKey is QOUOLBLZBOHGGG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10(18)11-5-7-12(8-6-11)19-14-16-15-13-4-2-3-9-17(13)14/h2-10,18H,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol?
(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol has a molecular weight of 271.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 55238535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).