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

C13H12N4S — CID 55132687

IUPAC2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline
SMILESCc1ccc(Sc2nnc3ccccn23)cc1N
InChIInChI=1S/C13H12N4S/c1-9-5-6-10(8-11(9)14)18-13-16-15-12-4-2-3-7-17(12)13/h2-8H,14H2,1H3
InChIKeyMSJYTRPUTGICFQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.77
Rot. Bonds2

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

2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline (PubChem CID 55132687) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline.

Molecular Properties

Compound Name2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline
PubChem CID55132687
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline
SMILESCc1ccc(Sc2nnc3ccccn23)cc1N
InChIInChI=1S/C13H12N4S/c1-9-5-6-10(8-11(9)14)18-13-16-15-12-4-2-3-7-17(12)13/h2-8H,14H2,1H3
InChIKeyMSJYTRPUTGICFQ-UHFFFAOYSA-N
XLogP2.77
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol
CID 55238535
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63820038
2-bromo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzonitrile
CID 107279763
1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]butan-2-amine
CID 63819025
[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine
CID 107931468
3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzaldehyde
CID 63803060
4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile
CID 17469534
4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80889557
methyl 3-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoate
CID 62850719
2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62848582
5-methyl-2-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80990134
N-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methyl]ethanamine
CID 63807416

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline?
The IUPAC name of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline (CID 55132687) is 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline.
What is the SMILES notation for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline?
The canonical SMILES for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline is Cc1ccc(Sc2nnc3ccccn23)cc1N.
What is the InChIKey of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline?
The InChIKey is MSJYTRPUTGICFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-9-5-6-10(8-11(9)14)18-13-16-15-12-4-2-3-7-17(12)13/h2-8H,14H2,1H3.
What are the key properties of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline?
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline has a molecular weight of 256.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline is sourced from PubChem (CID 55132687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).