[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine

C14H14N4S — CID 107931468

IUPAC[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine
SMILESCc1ccc(Sc2nnc3ccccn23)c(CN)c1
InChIInChI=1S/C14H14N4S/c1-10-5-6-12(11(8-10)9-15)19-14-17-16-13-4-2-3-7-18(13)14/h2-8H,9,15H2,1H3
InChIKeyUYCFNQPJIBLWKT-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.65
Rot. Bonds3

About [5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine

[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine (PubChem CID 107931468) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is [5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine
PubChem CID107931468
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine
SMILESCc1ccc(Sc2nnc3ccccn23)c(CN)c1
InChIInChI=1S/C14H14N4S/c1-10-5-6-12(11(8-10)9-15)19-14-17-16-13-4-2-3-7-18(13)14/h2-8H,9,15H2,1H3
InChIKeyUYCFNQPJIBLWKT-UHFFFAOYSA-N
XLogP2.65
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63808629
[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107931425
3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzaldehyde
CID 63803060
(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
N-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methyl]ethanamine
CID 63807416
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline
CID 55132687
[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931418
1-(2,4-dimethylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2081257
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
methyl 3-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoate
CID 62850719
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63820038

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine?
The IUPAC name of [5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine (CID 107931468) is [5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine?
The canonical SMILES for [5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine is Cc1ccc(Sc2nnc3ccccn23)c(CN)c1.
What is the InChIKey of [5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine?
The InChIKey is UYCFNQPJIBLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-5-6-12(11(8-10)9-15)19-14-17-16-13-4-2-3-7-18(13)14/h2-8H,9,15H2,1H3.
What are the key properties of [5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine?
[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine has a molecular weight of 270.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 107931468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).