4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole

C11H11BrClN3 — CID 63385182

IUPAC4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1cc(Br)ccc1C
InChIInChI=1S/C11H11BrClN3/c1-3-10-14-15-11(13)16(10)9-6-8(12)5-4-7(9)2/h4-6H,3H2,1-2H3
InChIKeyWYGDQBNTRLONPV-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.55
Rot. Bonds2

About 4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole

4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole (PubChem CID 63385182) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole
PubChem CID63385182
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1cc(Br)ccc1C
InChIInChI=1S/C11H11BrClN3/c1-3-10-14-15-11(13)16(10)9-6-8(12)5-4-7(9)2/h4-6H,3H2,1-2H3
InChIKeyWYGDQBNTRLONPV-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromophenyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
CID 853145
5-(4-Bromo-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol anion
CID 23724341
4-(3-Bromo-2-methylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole
CID 71762961
3-(2-Bromophenyl)-4,5-diphenyl-1,2,4-triazole
CID 3165888
4-(4-bromo-2-fluorophenyl)-3-chloro-5-methyl-4H-1,2,4-triazole
CID 63384874
4-(4-bromophenyl)-3,5-diphenyl-4H-1,2,4-triazole
CID 59844934
3,5-Bis(4-bromophenyl)-4-phenyl-4H-1,2,4-triazole
CID 71721489
3-(4-Bromophenyl)-1,5-diphenyl-1,2,4-triazole
CID 132499427
6-Bromo-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole
CID 56788668
9-bromo-1-(chloromethyl)-6-(4-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 21437314
3-(4-Bromophenyl)-4-(2-fluorophenyl)-5-methyl-1,2,4-triazole
CID 22019261
5-(4-Bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole
CID 22226787

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole?
The IUPAC name of 4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole (CID 63385182) is 4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole.
What is the SMILES notation for 4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole?
The canonical SMILES for 4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole is CCc1nnc(Cl)n1-c1cc(Br)ccc1C.
What is the InChIKey of 4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole?
The InChIKey is WYGDQBNTRLONPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-3-10-14-15-11(13)16(10)9-6-8(12)5-4-7(9)2/h4-6H,3H2,1-2H3.
What are the key properties of 4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole?
4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole has a molecular weight of 300.59 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole is sourced from PubChem (CID 63385182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).