3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine

C11H5BrClFN4 — CID 81442225

IUPAC3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(-c2nnc3cncc(Cl)n23)c(Br)c1
InChIInChI=1S/C11H5BrClFN4/c12-8-3-6(14)1-2-7(8)11-17-16-10-5-15-4-9(13)18(10)11/h1-5H
InChIKeyHPOPJLRUPAXFGY-UHFFFAOYSA-N
MW327.54 g/mol
LogP3.35
Rot. Bonds1

About 3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine

3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 81442225) has the molecular formula C11H5BrClFN4 and a molecular weight of 327.54 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID81442225
Molecular FormulaC11H5BrClFN4
Molecular Weight327.54 g/mol
Exact Mass325.94
IUPAC Name3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(-c2nnc3cncc(Cl)n23)c(Br)c1
InChIInChI=1S/C11H5BrClFN4/c12-8-3-6(14)1-2-7(8)11-17-16-10-5-15-4-9(13)18(10)11/h1-5H
InChIKeyHPOPJLRUPAXFGY-UHFFFAOYSA-N
XLogP3.35
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine (CID 81442225) is 3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc(-c2nnc3cncc(Cl)n23)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HPOPJLRUPAXFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFN4/c12-8-3-6(14)1-2-7(8)11-17-16-10-5-15-4-9(13)18(10)11/h1-5H.
What are the key properties of 3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 327.54 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 81442225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).