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

C15H16N4S — CID 62848582

IUPAC2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
SMILESCc1ccccc1C(CN)Sc1nnc2ccccn12
InChIInChI=1S/C15H16N4S/c1-11-6-2-3-7-12(11)13(10-16)20-15-18-17-14-8-4-5-9-19(14)15/h2-9,13H,10,16H2,1H3
InChIKeyGCEIXEGHRKPAOY-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.83
Rot. Bonds4

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

2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine (PubChem CID 62848582) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
PubChem CID62848582
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
SMILESCc1ccccc1C(CN)Sc1nnc2ccccn12
InChIInChI=1S/C15H16N4S/c1-11-6-2-3-7-12(11)13(10-16)20-15-18-17-14-8-4-5-9-19(14)15/h2-9,13H,10,16H2,1H3
InChIKeyGCEIXEGHRKPAOY-UHFFFAOYSA-N
XLogP2.83
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62849284
2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62849106
2-(2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 55019254
2-(2-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55019111
N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
CID 64632580
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65038510
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
N'-hydroxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 76950750
[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine
CID 107931468
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)aniline
CID 55132687
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
CID 62849275

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The IUPAC name of 2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine (CID 62848582) is 2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine is Cc1ccccc1C(CN)Sc1nnc2ccccn12.
What is the InChIKey of 2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The InChIKey is GCEIXEGHRKPAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-6-2-3-7-12(11)13(10-16)20-15-18-17-14-8-4-5-9-19(14)15/h2-9,13H,10,16H2,1H3.
What are the key properties of 2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine is sourced from PubChem (CID 62848582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).