4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole

C9H6BrCl2N3 — CID 107617166

IUPAC4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
SMILESCc1nnc(Cl)n1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H6BrCl2N3/c1-5-13-14-9(12)15(5)6-2-3-7(10)8(11)4-6/h2-4H,1H3
InChIKeyJHFRLJKYEWGZBT-UHFFFAOYSA-N
MW306.98 g/mol
LogP3.65
Rot. Bonds1

About 4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole

4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole (PubChem CID 107617166) has the molecular formula C9H6BrCl2N3 and a molecular weight of 306.98 g/mol. Its IUPAC name is 4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
PubChem CID107617166
Molecular FormulaC9H6BrCl2N3
Molecular Weight306.98 g/mol
Exact Mass304.91
IUPAC Name4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
SMILESCc1nnc(Cl)n1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H6BrCl2N3/c1-5-13-14-9(12)15(5)6-2-3-7(10)8(11)4-6/h2-4H,1H3
InChIKeyJHFRLJKYEWGZBT-UHFFFAOYSA-N
XLogP3.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.98
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 63384768
4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 65437027
3-chloro-4-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-triazole
CID 63384970
4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 107579524
3-chloro-4-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole
CID 63383429
4-(4-bromo-3-methylphenyl)-3-chloro-5-cyclopropyl-1,2,4-triazole
CID 55184937
3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione
CID 107614792
4-(2-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 103481595
4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole
CID 63385450
1-(4-bromo-3-chlorophenyl)-5-methyltriazole-4-carboxylic acid
CID 102604866
1-(4-bromo-3-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107614194
3-chloro-4-(3-chloro-4-methylphenyl)-5-propyl-1,2,4-triazole
CID 55184756

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole?
The IUPAC name of 4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole (CID 107617166) is 4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole is Cc1nnc(Cl)n1-c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole?
The InChIKey is JHFRLJKYEWGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2N3/c1-5-13-14-9(12)15(5)6-2-3-7(10)8(11)4-6/h2-4H,1H3.
What are the key properties of 4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole?
4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole has a molecular weight of 306.98 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole is sourced from PubChem (CID 107617166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).