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

C11H11BrClN3 — CID 107579524

IUPAC4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole
SMILESCc1cc(-n2c(C)nnc2Cl)cc(C)c1Br
InChIInChI=1S/C11H11BrClN3/c1-6-4-9(5-7(2)10(6)12)16-8(3)14-15-11(16)13/h4-5H,1-3H3
InChIKeyULXAZBHCDRQBHI-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.61
Rot. Bonds1

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

4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole (PubChem CID 107579524) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole
PubChem CID107579524
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole
SMILESCc1cc(-n2c(C)nnc2Cl)cc(C)c1Br
InChIInChI=1S/C11H11BrClN3/c1-6-4-9(5-7(2)10(6)12)16-8(3)14-15-11(16)13/h4-5H,1-3H3
InChIKeyULXAZBHCDRQBHI-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.61
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-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 107617166
3-chloro-4-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-triazole
CID 63384970
3-chloro-4-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole
CID 63383429
4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 65437027
4-(2-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 103481595
3-chloro-5-methyl-4-(2,4,5-trifluorophenyl)-1,2,4-triazole
CID 63385778
4-[4-bromo-2-(trifluoromethyl)phenyl]-3-chloro-5-methyl-1,2,4-triazole
CID 63385282
4-(4-bromo-3-methylphenyl)-3-chloro-5-cyclopropyl-1,2,4-triazole
CID 55184937
3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine
CID 63385254
4-(3-bromo-5-methylphenyl)-3-tert-butyl-5-chloro-1,2,4-triazole
CID 107579551
3-chloro-4-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazole
CID 63384844

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole?
The IUPAC name of 4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole (CID 107579524) is 4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole is Cc1cc(-n2c(C)nnc2Cl)cc(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole?
The InChIKey is ULXAZBHCDRQBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-6-4-9(5-7(2)10(6)12)16-8(3)14-15-11(16)13/h4-5H,1-3H3.
What are the key properties of 4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole?
4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole has a molecular weight of 300.59 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylphenyl)-3-chloro-5-methyl-1,2,4-triazole is sourced from PubChem (CID 107579524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).