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

C15H9ClN6O — CID 53169988

IUPAC3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESClc1cccc(-n2cc(-c3noc(-c4ccccn4)n3)nn2)c1
InChIInChI=1S/C15H9ClN6O/c16-10-4-3-5-11(8-10)22-9-13(19-21-22)14-18-15(23-20-14)12-6-1-2-7-17-12/h1-9H
InChIKeyCIGFGUWEMBAWDQ-UHFFFAOYSA-N
MW324.73 g/mol
LogP3.03
Rot. Bonds3

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

3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 53169988) has the molecular formula C15H9ClN6O and a molecular weight of 324.73 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID53169988
Molecular FormulaC15H9ClN6O
Molecular Weight324.73 g/mol
Exact Mass324.05
IUPAC Name3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESClc1cccc(-n2cc(-c3noc(-c4ccccn4)n3)nn2)c1
InChIInChI=1S/C15H9ClN6O/c16-10-4-3-5-11(8-10)22-9-13(19-21-22)14-18-15(23-20-14)12-6-1-2-7-17-12/h1-9H
InChIKeyCIGFGUWEMBAWDQ-UHFFFAOYSA-N
XLogP3.03
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole (CID 53169988) is 3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole is Clc1cccc(-n2cc(-c3noc(-c4ccccn4)n3)nn2)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is CIGFGUWEMBAWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN6O/c16-10-4-3-5-11(8-10)22-9-13(19-21-22)14-18-15(23-20-14)12-6-1-2-7-17-12/h1-9H.
What are the key properties of 3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 324.73 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53169988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).