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

C18H17N5O — CID 167833882

IUPAC3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole
SMILESCc1nnc2ccc(-c3noc(-c4ccccc4C(C)C)n3)cn12
InChIInChI=1S/C18H17N5O/c1-11(2)14-6-4-5-7-15(14)18-19-17(22-24-18)13-8-9-16-21-20-12(3)23(16)10-13/h4-11H,1-3H3
InChIKeyPDYYGKUWIJLNFK-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.88
Rot. Bonds3

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

3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole (PubChem CID 167833882) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole
PubChem CID167833882
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole
SMILESCc1nnc2ccc(-c3noc(-c4ccccc4C(C)C)n3)cn12
InChIInChI=1S/C18H17N5O/c1-11(2)14-6-4-5-7-15(14)18-19-17(22-24-18)13-8-9-16-21-20-12(3)23(16)10-13/h4-11H,1-3H3
InChIKeyPDYYGKUWIJLNFK-UHFFFAOYSA-N
XLogP3.88
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole (CID 167833882) is 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole is Cc1nnc2ccc(-c3noc(-c4ccccc4C(C)C)n3)cn12.
What is the InChIKey of 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is PDYYGKUWIJLNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-11(2)14-6-4-5-7-15(14)18-19-17(22-24-18)13-8-9-16-21-20-12(3)23(16)10-13/h4-11H,1-3H3.
What are the key properties of 3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole?
3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 319.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-(2-propan-2-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167833882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).