2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine

C13H14N4OS — CID 62849284

IUPAC2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
SMILESCc1ccc(C(CN)Sc2nnc3ccccn23)o1
InChIInChI=1S/C13H14N4OS/c1-9-5-6-10(18-9)11(8-14)19-13-16-15-12-4-2-3-7-17(12)13/h2-7,11H,8,14H2,1H3
InChIKeyLXQUCOXGPSUANN-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.42
Rot. Bonds4

About 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine

2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine (PubChem CID 62849284) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
PubChem CID62849284
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
SMILESCc1ccc(C(CN)Sc2nnc3ccccn23)o1
InChIInChI=1S/C13H14N4OS/c1-9-5-6-10(18-9)11(8-14)19-13-16-15-12-4-2-3-7-17(12)13/h2-7,11H,8,14H2,1H3
InChIKeyLXQUCOXGPSUANN-UHFFFAOYSA-N
XLogP2.42
TPSA69.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine with MolForge

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Related Compounds

2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62848582
2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62849106
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
1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203680
(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
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 18128609
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
CID 62849275
N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine
CID 64633370

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The IUPAC name of 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine (CID 62849284) is 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine is Cc1ccc(C(CN)Sc2nnc3ccccn23)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The InChIKey is LXQUCOXGPSUANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-9-5-6-10(18-9)11(8-14)19-13-16-15-12-4-2-3-7-17(12)13/h2-7,11H,8,14H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine has a molecular weight of 274.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine is sourced from PubChem (CID 62849284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).