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

C14H14N4S — CID 63820038

IUPAC2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
SMILESNCCc1ccc(Sc2nnc3ccccn23)cc1
InChIInChI=1S/C14H14N4S/c15-9-8-11-4-6-12(7-5-11)19-14-17-16-13-3-1-2-10-18(13)14/h1-7,10H,8-9,15H2
InChIKeyOSJJYXFCFFMVOK-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.38
Rot. Bonds4

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

2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine (PubChem CID 63820038) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
PubChem CID63820038
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
SMILESNCCc1ccc(Sc2nnc3ccccn23)cc1
InChIInChI=1S/C14H14N4S/c15-9-8-11-4-6-12(7-5-11)19-14-17-16-13-3-1-2-10-18(13)14/h1-7,10H,8-9,15H2
InChIKeyOSJJYXFCFFMVOK-UHFFFAOYSA-N
XLogP2.38
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.38
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
(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol
CID 55238535
[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)phenyl]methanamine
CID 62848938
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline
CID 55132687
[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol
CID 113388746
[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine
CID 107931468
2-bromo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzonitrile
CID 107279763
N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine
CID 80650906
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
2-amino-3-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
CID 83207534
2-bromo-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)aniline
CID 115558374
N-(2-phenylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 4639061

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine (CID 63820038) is 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine is NCCc1ccc(Sc2nnc3ccccn23)cc1.
What is the InChIKey of 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine?
The InChIKey is OSJJYXFCFFMVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-9-8-11-4-6-12(7-5-11)19-14-17-16-13-3-1-2-10-18(13)14/h1-7,10H,8-9,15H2.
What are the key properties of 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine?
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 63820038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).