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

C15H12BrN3 — CID 918292

IUPAC3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole
SMILESCc1ccc(-c2nc(-c3cccc(Br)c3)n[nH]2)cc1
InChIInChI=1S/C15H12BrN3/c1-10-5-7-11(8-6-10)14-17-15(19-18-14)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,17,18,19)
InChIKeyKMNNRUHYHKAZFA-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.21
Rot. Bonds2

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

3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole (PubChem CID 918292) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole
PubChem CID918292
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole
SMILESCc1ccc(-c2nc(-c3cccc(Br)c3)n[nH]2)cc1
InChIInChI=1S/C15H12BrN3/c1-10-5-7-11(8-6-10)14-17-15(19-18-14)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,17,18,19)
InChIKeyKMNNRUHYHKAZFA-UHFFFAOYSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]aniline
CID 66487188
3-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 918282
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529375
5-(3-bromophenyl)-1H-1,2,4-triazol-3-amine
CID 3734662
3-[3-(3-bromophenyl)phenyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 118577126
3-(3-methylphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole
CID 43826555
3-(3-bromo-4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole
CID 107989225
5-bromo-3-(3-methylphenyl)-1H-1,2,4-triazole
CID 51072233
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
4-[3-[3-[5-[4-(diethylamino)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]-N,N-diethylaniline
CID 118529717
1-(3-bromophenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7818863
5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529706

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole (CID 918292) is 3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole is Cc1ccc(-c2nc(-c3cccc(Br)c3)n[nH]2)cc1.
What is the InChIKey of 3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole?
The InChIKey is KMNNRUHYHKAZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c1-10-5-7-11(8-6-10)14-17-15(19-18-14)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,17,18,19).
What are the key properties of 3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole?
3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole has a molecular weight of 314.19 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 918292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).