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

C13H13N7O — CID 79311750

IUPAC5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(Cc2noc(-c3cn(C4CNC4)nn3)n2)ccn1
InChIInChI=1S/C13H13N7O/c1-3-14-4-2-9(1)5-12-16-13(21-18-12)11-8-20(19-17-11)10-6-15-7-10/h1-4,8,10,15H,5-7H2
InChIKeyZVQIPCPYFXMGCS-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.46
Rot. Bonds4

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

5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 79311750) has the molecular formula C13H13N7O and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID79311750
Molecular FormulaC13H13N7O
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(Cc2noc(-c3cn(C4CNC4)nn3)n2)ccn1
InChIInChI=1S/C13H13N7O/c1-3-14-4-2-9(1)5-12-16-13(21-18-12)11-8-20(19-17-11)10-6-15-7-10/h1-4,8,10,15H,5-7H2
InChIKeyZVQIPCPYFXMGCS-UHFFFAOYSA-N
XLogP0.46
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-amino-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 16022023
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
CID 155546567
5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944029
2-{5-Amino-4-[3-(pyridin-4-YL)-1,2,4-oxadiazol-5-YL]-1H-1,2,3-triazol-1-YL}-N-(4-methylphenyl)acetamide
CID 16022041
2-{5-Amino-4-[3-(pyridin-4-YL)-1,2,4-oxadiazol-5-YL]-1H-1,2,3-triazol-1-YL}-N-(3,5-dimethylphenyl)acetamide
CID 16022045
2-{5-Amino-4-[3-(pyridin-4-YL)-1,2,4-oxadiazol-5-YL]-1H-1,2,3-triazol-1-YL}-N-(2-ethylphenyl)acetamide
CID 16022049
3-(2-methoxyethyl)-5-[1-(2-phenylethyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
CID 56885021
US11352339, Example 203
CID 130454725
2-[5-amino-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]-N-phenylacetamide
CID 16022021
2-{5-Amino-4-[3-(pyridin-4-YL)-1,2,4-oxadiazol-5-YL]-1H-1,2,3-triazol-1-YL}-N-(2,4-dimethylphenyl)acetamide
CID 16022047
2-{5-Amino-4-[3-(pyridin-4-YL)-1,2,4-oxadiazol-5-YL]-1H-1,2,3-triazol-1-YL}-N-(2,4,6-trimethylphenyl)acetamide
CID 16022051
5-[1-[(4-Fluorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56916553

Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole (CID 79311750) is 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole is c1cc(Cc2noc(-c3cn(C4CNC4)nn3)n2)ccn1.
What is the InChIKey of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is ZVQIPCPYFXMGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-3-14-4-2-9(1)5-12-16-13(21-18-12)11-8-20(19-17-11)10-6-15-7-10/h1-4,8,10,15H,5-7H2.
What are the key properties of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 283.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79311750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).