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

C14H8Cl3N3 — CID 44571392

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)triazole
SMILESClc1ccc(-c2cnnn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H8Cl3N3/c15-10-3-1-9(2-4-10)14-8-18-19-20(14)13-6-5-11(16)7-12(13)17/h1-8H
InChIKeyRMXMBJSRZMIWNC-UHFFFAOYSA-N
MW324.60 g/mol
LogP4.89
Rot. Bonds2

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

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)triazole (PubChem CID 44571392) 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)triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)triazole
PubChem CID44571392
Molecular FormulaC14H8Cl3N3
Molecular Weight324.60 g/mol
Exact Mass322.98
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)triazole
SMILESClc1ccc(-c2cnnn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H8Cl3N3/c15-10-3-1-9(2-4-10)14-8-18-19-20(14)13-6-5-11(16)7-12(13)17/h1-8H
InChIKeyRMXMBJSRZMIWNC-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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Related Compounds

1,5-Diphenyl-1H-1,2,3-triazole
CID 281048
5-benzyl-1-(2,3-dichlorophenyl)-1H-1,2,3-triazole
CID 44440430
1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole
CID 146437909
Pyridine, 3-(1-(4-chlorophenyl)-1H-1,2,3-triazol-5-yl)-
CID 3066642
1,5-bis(4-chlorophenyl)-1H-1,2,3-triazole
CID 44572111
5-(4-chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole
CID 2140033
4-[5-(4-Chlorophenyl)triazol-1-yl]aniline
CID 3683814
4-[1-(4-Chloro-phenyl)-1H-[1,2,3]triazol-4-yl]-pyridine
CID 10801110
5-chloro-1,4-diphenyl-1H-1,2,3-triazole
CID 849380
1,4-Diphenyl-1,2,3-triazole
CID 281057
3-[5-(4-Chlorophenyl)triazol-1-yl]aniline
CID 2360931
4-[3-(4-Chlorophenyl)triazol-4-yl]pyridine
CID 12440913

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)triazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)triazole (CID 44571392) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)triazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)triazole is Clc1ccc(-c2cnnn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)triazole?
The InChIKey is RMXMBJSRZMIWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3/c15-10-3-1-9(2-4-10)14-8-18-19-20(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)triazole?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)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)triazole is sourced from PubChem (CID 44571392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).