3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole

C16H12N6O — CID 53169940

IUPAC3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(-n2cc(-c3noc(-c4ccncc4)n3)nn2)cc1
InChIInChI=1S/C16H12N6O/c1-11-2-4-13(5-3-11)22-10-14(19-21-22)15-18-16(23-20-15)12-6-8-17-9-7-12/h2-10H,1H3
InChIKeySXFQEUBCOPKBJQ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.69
Rot. Bonds3

About 3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole

3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 53169940) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID53169940
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(-n2cc(-c3noc(-c4ccncc4)n3)nn2)cc1
InChIInChI=1S/C16H12N6O/c1-11-2-4-13(5-3-11)22-10-14(19-21-22)15-18-16(23-20-15)12-6-8-17-9-7-12/h2-10H,1H3
InChIKeySXFQEUBCOPKBJQ-UHFFFAOYSA-N
XLogP2.69
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170232
N-(3-bromophenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170247
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
4-[1-(4-methylphenyl)triazol-4-yl]phenol
CID 160861488
1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
CID 134686857
ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207
3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
CID 157444947
3-[1-(4-fluorophenyl)triazol-4-yl]-5-isoquinolin-1-yl-1,2,4-oxadiazole
CID 53169948
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
CID 53156543

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole (CID 53169940) is 3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole is Cc1ccc(-n2cc(-c3noc(-c4ccncc4)n3)nn2)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is SXFQEUBCOPKBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c1-11-2-4-13(5-3-11)22-10-14(19-21-22)15-18-16(23-20-15)12-6-8-17-9-7-12/h2-10H,1H3.
What are the key properties of 3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole?
3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 304.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53169940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).