3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole

C18H15BrClN3 — CID 59216153

IUPAC3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole
SMILESCn1c(-c2ccc(Br)cc2Cl)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C18H15BrClN3/c1-23-16(14-8-7-13(19)11-15(14)20)21-22-17(23)18(9-10-18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyVWZOEHWXHUFAKD-UHFFFAOYSA-N
MW388.70 g/mol
LogP4.98
Rot. Bonds3

About 3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole

3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole (PubChem CID 59216153) has the molecular formula C18H15BrClN3 and a molecular weight of 388.70 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole
PubChem CID59216153
Molecular FormulaC18H15BrClN3
Molecular Weight388.70 g/mol
Exact Mass387.01
IUPAC Name3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole
SMILESCn1c(-c2ccc(Br)cc2Cl)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C18H15BrClN3/c1-23-16(14-8-7-13(19)11-15(14)20)21-22-17(23)18(9-10-18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyVWZOEHWXHUFAKD-UHFFFAOYSA-N
XLogP4.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 9998483
3-(2-Bromophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole
CID 11681796
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-phenyl-4H-1,2,4-triazole
CID 20724899
3-(2-Chlorophenyl)-4-methyl-5-(4-pentylphenyl)-1,2,4-triazole
CID 44448619
3-(2-Chlorophenyl)-4-methyl-5-phenyl-1,2,4-triazole
CID 44448687
3-[2-Chloro-5-(trifluoromethyl)phenyl]-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
CID 59216031
3-(2,4-Dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
CID 59216044
3-(4-Chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole
CID 59216108
3-(2,3-Dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
CID 59216115
3-(2-Chloro-4-fluorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
CID 59216174
3-(2-Chloro-4-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole
CID 59216192
3-(2-Chlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
CID 59216224

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole (CID 59216153) is 3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole is Cn1c(-c2ccc(Br)cc2Cl)nnc1C1(c2ccccc2)CC1.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole?
The InChIKey is VWZOEHWXHUFAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3/c1-23-16(14-8-7-13(19)11-15(14)20)21-22-17(23)18(9-10-18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole?
3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole has a molecular weight of 388.70 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole is sourced from PubChem (CID 59216153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).