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

C15H18BrN3 — CID 107982954

IUPAC3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole
SMILESCc1cccc(-c2n[nH]c(C3CCCCC3)n2)c1Br
InChIInChI=1S/C15H18BrN3/c1-10-6-5-9-12(13(10)16)15-17-14(18-19-15)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,18,19)
InChIKeyBVFPXURAPVKJMZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.59
Rot. Bonds2

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

3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole (PubChem CID 107982954) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole
PubChem CID107982954
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole
SMILESCc1cccc(-c2n[nH]c(C3CCCCC3)n2)c1Br
InChIInChI=1S/C15H18BrN3/c1-10-6-5-9-12(13(10)16)15-17-14(18-19-15)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,18,19)
InChIKeyBVFPXURAPVKJMZ-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-6-methylaniline
CID 86820110
3-(3-bromo-2-fluorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 107954589
5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole
CID 61337352
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 61336403
8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62876053
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine
CID 62874312
5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline
CID 104615347
5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62876052
5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole
CID 55221848
5-cyclohexyl-3-(2,6-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336565
5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104559526
3-(4-bromo-2-chlorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 61338312

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole?
The IUPAC name of 3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole (CID 107982954) is 3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole is Cc1cccc(-c2n[nH]c(C3CCCCC3)n2)c1Br.
What is the InChIKey of 3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole?
The InChIKey is BVFPXURAPVKJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-6-5-9-12(13(10)16)15-17-14(18-19-15)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,18,19).
What are the key properties of 3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole?
3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole has a molecular weight of 320.23 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole is sourced from PubChem (CID 107982954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).