4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole

C11H10BrClFN3 — CID 55183656

IUPAC4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1-c1cc(Br)ccc1F
InChIInChI=1S/C11H10BrClFN3/c1-2-3-10-15-16-11(13)17(10)9-6-7(12)4-5-8(9)14/h4-6H,2-3H2,1H3
InChIKeyIZPYFQJNWNEWBA-UHFFFAOYSA-N
MW318.58 g/mol
LogP3.77
Rot. Bonds3

About 4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole

4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole (PubChem CID 55183656) has the molecular formula C11H10BrClFN3 and a molecular weight of 318.58 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole
PubChem CID55183656
Molecular FormulaC11H10BrClFN3
Molecular Weight318.58 g/mol
Exact Mass316.97
IUPAC Name4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1-c1cc(Br)ccc1F
InChIInChI=1S/C11H10BrClFN3/c1-2-3-10-15-16-11(13)17(10)9-6-7(12)4-5-8(9)14/h4-6H,2-3H2,1H3
InChIKeyIZPYFQJNWNEWBA-UHFFFAOYSA-N
XLogP3.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole (CID 55183656) is 4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole is CCCc1nnc(Cl)n1-c1cc(Br)ccc1F.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole?
The InChIKey is IZPYFQJNWNEWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFN3/c1-2-3-10-15-16-11(13)17(10)9-6-7(12)4-5-8(9)14/h4-6H,2-3H2,1H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole?
4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole has a molecular weight of 318.58 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 4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole is sourced from PubChem (CID 55183656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).