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

C15H10ClN5O — CID 53173226

IUPAC5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESClc1cccc(Cc2nc(-c3ccc4nncn4c3)no2)c1
InChIInChI=1S/C15H10ClN5O/c16-12-3-1-2-10(6-12)7-14-18-15(20-22-14)11-4-5-13-19-17-9-21(13)8-11/h1-6,8-9H,7H2
InChIKeyNJFUKIZWJXMSTE-UHFFFAOYSA-N
MW311.73 g/mol
LogP3.02
Rot. Bonds3

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

5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 53173226) has the molecular formula C15H10ClN5O and a molecular weight of 311.73 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID53173226
Molecular FormulaC15H10ClN5O
Molecular Weight311.73 g/mol
Exact Mass311.06
IUPAC Name5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESClc1cccc(Cc2nc(-c3ccc4nncn4c3)no2)c1
InChIInChI=1S/C15H10ClN5O/c16-12-3-1-2-10(6-12)7-14-18-15(20-22-14)11-4-5-13-19-17-9-21(13)8-11/h1-6,8-9H,7H2
InChIKeyNJFUKIZWJXMSTE-UHFFFAOYSA-N
XLogP3.02
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 53173226) is 5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is Clc1cccc(Cc2nc(-c3ccc4nncn4c3)no2)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is NJFUKIZWJXMSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O/c16-12-3-1-2-10(6-12)7-14-18-15(20-22-14)11-4-5-13-19-17-9-21(13)8-11/h1-6,8-9H,7H2.
What are the key properties of 5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 311.73 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53173226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).