2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole

C10H9N5OS — CID 18128609

IUPAC2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(CSc2nnc3ccccn23)o1
InChIInChI=1S/C10H9N5OS/c1-7-11-13-9(16-7)6-17-10-14-12-8-4-2-3-5-15(8)10/h2-5H,6H2,1H3
InChIKeyHSSQBQFFCIBQML-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.71
Rot. Bonds3

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

2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 18128609) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID18128609
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(CSc2nnc3ccccn23)o1
InChIInChI=1S/C10H9N5OS/c1-7-11-13-9(16-7)6-17-10-14-12-8-4-2-3-5-15(8)10/h2-5H,6H2,1H3
InChIKeyHSSQBQFFCIBQML-UHFFFAOYSA-N
XLogP1.71
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-benzoxazol-5-amine
CID 79960380
3-(2-chlorophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 84601584
[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)phenyl]methanamine
CID 62848938
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 9408316
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carboxylate
CID 51072366
2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 86909036
3-[2-(chloromethyl)prop-2-enylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 103066297
6-chloro-7-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)chromen-2-one
CID 7558337
N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
CID 103060119
3-(3-bromo-2,2-dimethylpropyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 65000023
3-[(5-bromo-2-pyridinyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 115622316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 18128609) is 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole is Cc1nnc(CSc2nnc3ccccn23)o1.
What is the InChIKey of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is HSSQBQFFCIBQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c1-7-11-13-9(16-7)6-17-10-14-12-8-4-2-3-5-15(8)10/h2-5H,6H2,1H3.
What are the key properties of 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 247.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 18128609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).