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

C12H8ClN5O — CID 70566808

IUPAC2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESClc1cccc(-c2ncn(C=Cc3nnco3)n2)c1
InChIInChI=1S/C12H8ClN5O/c13-10-3-1-2-9(6-10)12-14-7-18(17-12)5-4-11-16-15-8-19-11/h1-8H
InChIKeyHFQVQBUMHBKFPY-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.61
Rot. Bonds3

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

2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 70566808) has the molecular formula C12H8ClN5O and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID70566808
Molecular FormulaC12H8ClN5O
Molecular Weight273.68 g/mol
Exact Mass273.04
IUPAC Name2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESClc1cccc(-c2ncn(C=Cc3nnco3)n2)c1
InChIInChI=1S/C12H8ClN5O/c13-10-3-1-2-9(6-10)12-14-7-18(17-12)5-4-11-16-15-8-19-11/h1-8H
InChIKeyHFQVQBUMHBKFPY-UHFFFAOYSA-N
XLogP2.61
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 70566808) is 2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is Clc1cccc(-c2ncn(C=Cc3nnco3)n2)c1.
What is the InChIKey of 2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is HFQVQBUMHBKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5O/c13-10-3-1-2-9(6-10)12-14-7-18(17-12)5-4-11-16-15-8-19-11/h1-8H.
What are the key properties of 2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 273.68 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 70566808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).