3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole

C10H9BrFN3 — CID 107954691

IUPAC3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C10H9BrFN3/c1-2-15-6-13-14-10(15)7-3-4-9(12)8(11)5-7/h3-6H,2H2,1H3
InChIKeyOBJCGJNXXUEFEJ-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.87
Rot. Bonds2

About 3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole

3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole (PubChem CID 107954691) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
PubChem CID107954691
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C10H9BrFN3/c1-2-15-6-13-14-10(15)7-3-4-9(12)8(11)5-7/h3-6H,2H2,1H3
InChIKeyOBJCGJNXXUEFEJ-UHFFFAOYSA-N
XLogP2.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylaniline
CID 62693006
3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395074
3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole
CID 82819204
4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole
CID 114088311
2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694499
4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine
CID 86723232
3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 115394797
3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole
CID 115394910
3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62694280
3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
CID 115395002
3-[4-bromo-3-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115395749
3-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazole
CID 115394687

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole (CID 107954691) is 3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole is CCn1cnnc1-c1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole?
The InChIKey is OBJCGJNXXUEFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c1-2-15-6-13-14-10(15)7-3-4-9(12)8(11)5-7/h3-6H,2H2,1H3.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole?
3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole has a molecular weight of 270.11 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 107954691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).