3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole

C13H9N5OS — CID 53173247

IUPAC3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCc1nnc2ccc(-c3noc(-c4cccs4)n3)cn12
InChIInChI=1S/C13H9N5OS/c1-8-15-16-11-5-4-9(7-18(8)11)12-14-13(19-17-12)10-3-2-6-20-10/h2-7H,1H3
InChIKeyKBXAUXGPLAIHBD-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.82
Rot. Bonds2

About 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole

3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53173247) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53173247
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCc1nnc2ccc(-c3noc(-c4cccs4)n3)cn12
InChIInChI=1S/C13H9N5OS/c1-8-15-16-11-5-4-9(7-18(8)11)12-14-13(19-17-12)10-3-2-6-20-10/h2-7H,1H3
InChIKeyKBXAUXGPLAIHBD-UHFFFAOYSA-N
XLogP2.82
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173292
3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 167833882
N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide
CID 167828732
5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173260
3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53035951
5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173239
3-[4-(4-fluorophenoxy)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53103359
3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 25191147
5-(3-chlorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173299
3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53172758
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53075191
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53173247) is 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is Cc1nnc2ccc(-c3noc(-c4cccs4)n3)cn12.
What is the InChIKey of 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is KBXAUXGPLAIHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c1-8-15-16-11-5-4-9(7-18(8)11)12-14-13(19-17-12)10-3-2-6-20-10/h2-7H,1H3.
What are the key properties of 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 283.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53173247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).