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

C16H13N5O — CID 53173292

IUPAC5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccc3nnc(C)n3c2)no1
InChIInChI=1S/C16H13N5O/c1-10-5-3-4-6-13(10)16-17-15(20-22-16)12-7-8-14-19-18-11(2)21(14)9-12/h3-9H,1-2H3
InChIKeyHTBQLXVHGXFHRB-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.06
Rot. Bonds2

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

5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 53173292) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID53173292
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccc3nnc(C)n3c2)no1
InChIInChI=1S/C16H13N5O/c1-10-5-3-4-6-13(10)16-17-15(20-22-16)12-7-8-14-19-18-11(2)21(14)9-12/h3-9H,1-2H3
InChIKeyHTBQLXVHGXFHRB-UHFFFAOYSA-N
XLogP3.06
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 53173292) is 5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is Cc1ccccc1-c1nc(-c2ccc3nnc(C)n3c2)no1.
What is the InChIKey of 5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is HTBQLXVHGXFHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-10-5-3-4-6-13(10)16-17-15(20-22-16)12-7-8-14-19-18-11(2)21(14)9-12/h3-9H,1-2H3.
What are the key properties of 5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 291.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53173292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).