5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole

C14H9BrClN3 — CID 741901

IUPAC5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole
SMILESClc1ccccc1-n1ncnc1-c1cccc(Br)c1
InChIInChI=1S/C14H9BrClN3/c15-11-5-3-4-10(8-11)14-17-9-18-19(14)13-7-2-1-6-12(13)16/h1-9H
InChIKeyNBETWZXQJQBBRK-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.35
Rot. Bonds2

About 5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole

5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole (PubChem CID 741901) has the molecular formula C14H9BrClN3 and a molecular weight of 334.60 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole
PubChem CID741901
Molecular FormulaC14H9BrClN3
Molecular Weight334.60 g/mol
Exact Mass332.97
IUPAC Name5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole
SMILESClc1ccccc1-n1ncnc1-c1cccc(Br)c1
InChIInChI=1S/C14H9BrClN3/c15-11-5-3-4-10(8-11)14-17-9-18-19(14)13-7-2-1-6-12(13)16/h1-9H
InChIKeyNBETWZXQJQBBRK-UHFFFAOYSA-N
XLogP4.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-1-(2,3-dichlorophenyl)-1H-1,2,4-triazole
CID 16678904
1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1H-1,2,4-triazole
CID 3599741
1-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-1,2,4-triazole
CID 3816794
1-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole
CID 4061960
1,5-Diphenyl-1,2,4-triazole
CID 759888
1,5-Bis(4-chlorophenyl)-1H-1,2,4-triazole
CID 4061955
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-1h-1,2,4-triazole
CID 25068339
1,5-Bis(2,4-dichlorophenyl)-1h-1,2,4-triazole
CID 129706612
8-bromo-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 16457163
1-(2-Chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1h-1,2,4-triazole
CID 139033796
5-(2,4-dichlorophenyl)-1-phenyl-1H-1,2,4-triazole
CID 741913
1-(3-Chlorophenyl)-5-(4-chlorophenyl)-1,2,4-triazole
CID 741936

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole?
The IUPAC name of 5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole (CID 741901) is 5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole.
What is the SMILES notation for 5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole?
The canonical SMILES for 5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole is Clc1ccccc1-n1ncnc1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole?
The InChIKey is NBETWZXQJQBBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3/c15-11-5-3-4-10(8-11)14-17-9-18-19(14)13-7-2-1-6-12(13)16/h1-9H.
What are the key properties of 5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole?
5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole has a molecular weight of 334.60 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1-(2-chlorophenyl)-1,2,4-triazole is sourced from PubChem (CID 741901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).