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

C14H9BrClN3 — CID 141477531

IUPAC3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole
SMILESClc1ccc(-c2nc(-c3ccc(Br)cc3)n[nH]2)cc1
InChIInChI=1S/C14H9BrClN3/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H,(H,17,18,19)
InChIKeyKSJBLYSVKDZNQL-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.55
Rot. Bonds2

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

3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole (PubChem CID 141477531) has the molecular formula C14H9BrClN3 and a molecular weight of 334.60 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole
PubChem CID141477531
Molecular FormulaC14H9BrClN3
Molecular Weight334.60 g/mol
Exact Mass332.97
IUPAC Name3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole
SMILESClc1ccc(-c2nc(-c3ccc(Br)cc3)n[nH]2)cc1
InChIInChI=1S/C14H9BrClN3/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H,(H,17,18,19)
InChIKeyKSJBLYSVKDZNQL-UHFFFAOYSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128167
methyl 4-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzoate
CID 176827252
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
3-(3-bromo-4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole
CID 107989225
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1H-indole
CID 137234826
3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole
CID 918292
N-[(4-bromophenyl)methyl]-5-[4-[(4-chlorophenoxy)methyl]phenyl]-1H-1,2,4-triazol-3-amine
CID 167836607
1-bromo-4-chlorobenzene
CID 7806
N-[4-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149414
3-(4-bromophenyl)-5-(2,3,4-trimethoxyphenyl)-1H-1,2,4-triazole
CID 174820420
4-[3-(3-bromo-5-fluorophenyl)-1H-1,2,4-triazol-5-yl]aniline
CID 82569290

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole (CID 141477531) is 3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole is Clc1ccc(-c2nc(-c3ccc(Br)cc3)n[nH]2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole?
The InChIKey is KSJBLYSVKDZNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H,(H,17,18,19).
What are the key properties of 3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole?
3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole has a molecular weight of 334.60 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 141477531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).