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

C9H7BrFN3 — CID 115395361

IUPAC3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1-c1ccc(Br)c(F)c1
InChIInChI=1S/C9H7BrFN3/c1-14-5-12-13-9(14)6-2-3-7(10)8(11)4-6/h2-5H,1H3
InChIKeySQKZYRIPWAYFAD-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.38
Rot. Bonds1

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

3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole (PubChem CID 115395361) has the molecular formula C9H7BrFN3 and a molecular weight of 256.08 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole
PubChem CID115395361
Molecular FormulaC9H7BrFN3
Molecular Weight256.08 g/mol
Exact Mass254.98
IUPAC Name3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1-c1ccc(Br)c(F)c1
InChIInChI=1S/C9H7BrFN3/c1-14-5-12-13-9(14)6-2-3-7(10)8(11)4-6/h2-5H,1H3
InChIKeySQKZYRIPWAYFAD-UHFFFAOYSA-N
XLogP2.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Bromophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11717880
3-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 745476
1-[(4-Bromophenyl)methyl]-4-methyl-3,5-diphenyl-1,2,4-triazol-4-ium tetrafluoroborate
CID 46185907
3-(4-bromophenyl)-4-methyl-4H-1,2,4-triazole
CID 79014882
3-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole
CID 26316547
3-(4-Bromophenyl)-1-ethyl-5-phenyl-1,2,4-triazole
CID 155541483
2-(4-Bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-7-thione
CID 10663598
3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 3307173
3-(2-Bromophenyl)-4H-1,2,4-triazole
CID 53216929
3-((3-bromophenyl)methyl)-4-methyl-4H-1,2,4-triazole
CID 80502908
3-(2-(3-bromophenyl)ethyl)-4-methyl-4H-1,2,4-triazole
CID 82486930
5-(4-bromophenyl)-1-methyl-1H-1,2,4-triazole
CID 84700554

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole (CID 115395361) is 3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole is Cn1cnnc1-c1ccc(Br)c(F)c1.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole?
The InChIKey is SQKZYRIPWAYFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3/c1-14-5-12-13-9(14)6-2-3-7(10)8(11)4-6/h2-5H,1H3.
What are the key properties of 3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole?
3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole has a molecular weight of 256.08 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 115395361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).