3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

C11H5BrCl2N4 — CID 114018416

IUPAC3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1cc(Br)cc(-c2nnc3c(Cl)nccn23)c1
InChIInChI=1S/C11H5BrCl2N4/c12-7-3-6(4-8(13)5-7)10-16-17-11-9(14)15-1-2-18(10)11/h1-5H
InChIKeyMOFXKWCJYJWKNU-UHFFFAOYSA-N
MW344.00 g/mol
LogP3.86
Rot. Bonds1

About 3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 114018416) has the molecular formula C11H5BrCl2N4 and a molecular weight of 344.00 g/mol. Its IUPAC name is 3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID114018416
Molecular FormulaC11H5BrCl2N4
Molecular Weight344.00 g/mol
Exact Mass341.91
IUPAC Name3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1cc(Br)cc(-c2nnc3c(Cl)nccn23)c1
InChIInChI=1S/C11H5BrCl2N4/c12-7-3-6(4-8(13)5-7)10-16-17-11-9(14)15-1-2-18(10)11/h1-5H
InChIKeyMOFXKWCJYJWKNU-UHFFFAOYSA-N
XLogP3.86
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.00
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (CID 114018416) is 3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine is Clc1cc(Br)cc(-c2nnc3c(Cl)nccn23)c1.
What is the InChIKey of 3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MOFXKWCJYJWKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2N4/c12-7-3-6(4-8(13)5-7)10-16-17-11-9(14)15-1-2-18(10)11/h1-5H.
What are the key properties of 3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 344.00 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 114018416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).