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

C10H9BrClN3 — CID 61278949

IUPAC3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(-c2cc(Br)ccc2Cl)n[nH]1
InChIInChI=1S/C10H9BrClN3/c1-2-9-13-10(15-14-9)7-5-6(11)3-4-8(7)12/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyBTTPJTYFJMSPSG-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.45
Rot. Bonds2

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

3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole (PubChem CID 61278949) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
PubChem CID61278949
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(-c2cc(Br)ccc2Cl)n[nH]1
InChIInChI=1S/C10H9BrClN3/c1-2-9-13-10(15-14-9)7-5-6(11)3-4-8(7)12/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyBTTPJTYFJMSPSG-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole (CID 61278949) is 3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole is CCc1nc(-c2cc(Br)ccc2Cl)n[nH]1.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole?
The InChIKey is BTTPJTYFJMSPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c1-2-9-13-10(15-14-9)7-5-6(11)3-4-8(7)12/h3-5H,2H2,1H3,(H,13,14,15).
What are the key properties of 3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole?
3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole has a molecular weight of 286.56 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole is sourced from PubChem (CID 61278949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).