5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole

C14H8Cl3N3 — CID 25068339

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole
SMILESClc1ccc(-c2ncnn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H8Cl3N3/c15-10-3-1-9(2-4-10)14-18-8-19-20(14)13-6-5-11(16)7-12(13)17/h1-8H
InChIKeyROWDSKLNAHFCFS-UHFFFAOYSA-N
MW324.60 g/mol
LogP4.89
Rot. Bonds2

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole (PubChem CID 25068339) has the molecular formula C14H8Cl3N3 and a molecular weight of 324.60 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole
PubChem CID25068339
Molecular FormulaC14H8Cl3N3
Molecular Weight324.60 g/mol
Exact Mass322.98
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole
SMILESClc1ccc(-c2ncnn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H8Cl3N3/c15-10-3-1-9(2-4-10)14-18-8-19-20(14)13-6-5-11(16)7-12(13)17/h1-8H
InChIKeyROWDSKLNAHFCFS-UHFFFAOYSA-N
XLogP4.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.60
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole (CID 25068339) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole is Clc1ccc(-c2ncnn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole?
The InChIKey is ROWDSKLNAHFCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3/c15-10-3-1-9(2-4-10)14-18-8-19-20(14)13-6-5-11(16)7-12(13)17/h1-8H.
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole has a molecular weight of 324.60 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazole is sourced from PubChem (CID 25068339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).