3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole

C11H11BrClN3 — CID 115395002

IUPAC3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H11BrClN3/c1-2-5-16-7-14-15-11(16)8-3-4-9(12)10(13)6-8/h3-4,6-7H,2,5H2,1H3
InChIKeyURBZNSGUQCQESU-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.77
Rot. Bonds3

About 3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole

3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole (PubChem CID 115395002) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
PubChem CID115395002
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H11BrClN3/c1-2-5-16-7-14-15-11(16)8-3-4-9(12)10(13)6-8/h3-4,6-7H,2,5H2,1H3
InChIKeyURBZNSGUQCQESU-UHFFFAOYSA-N
XLogP3.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395050
3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395074
3-(3-chloro-5-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395140
2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694499
3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
CID 113301287
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
CID 107954691
3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole
CID 115395141
3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole
CID 115395179
2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole
CID 68720916
3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole
CID 113301344

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole (CID 115395002) is 3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole?
The InChIKey is URBZNSGUQCQESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-2-5-16-7-14-15-11(16)8-3-4-9(12)10(13)6-8/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole?
3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole has a molecular weight of 300.59 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115395002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).