3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole

C14H15BrFN3 — CID 107954590

IUPAC3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
SMILESFc1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1Br
InChIInChI=1S/C14H15BrFN3/c15-11-8-10(6-7-12(11)16)14-17-13(18-19-14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,18,19)
InChIKeyFMRWCFDRJSUPMO-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.42
Rot. Bonds2

About 3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole

3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole (PubChem CID 107954590) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
PubChem CID107954590
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
SMILESFc1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1Br
InChIInChI=1S/C14H15BrFN3/c15-11-8-10(6-7-12(11)16)14-17-13(18-19-14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,18,19)
InChIKeyFMRWCFDRJSUPMO-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole
CID 63213792
3-(3-bromo-4-chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 107989217
5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole
CID 61336958
3-(3-bromo-4-methylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81471748
5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole
CID 63548842
3-(3-chlorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
CID 61337346
2-bromo-5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
CID 107814437
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline
CID 61337782
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 61339281
5-cyclohexyl-3-(3-iodophenyl)-1H-1,2,4-triazole
CID 63548333
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 61338165
3-(3-bromo-2-fluorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 107954589

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole (CID 107954590) is 3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole is Fc1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole?
The InChIKey is FMRWCFDRJSUPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c15-11-8-10(6-7-12(11)16)14-17-13(18-19-14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,18,19).
What are the key properties of 3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole?
3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole has a molecular weight of 324.20 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole is sourced from PubChem (CID 107954590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).