1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazine

2.1.2 InChI

InChI=1S/C15H11F6N5O2/c1-2-28-15(20,21)13-25-24-11-5-22-10(6-26(11)13)8-3-9(16)12(23-4-8)27-7-14(17,18)19/h3-6H,2,7H2,1H3

2.1.3 InChI Key

BFXBSYMVTNEFRF-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

AW5C5XHM4W

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Prax-562

2. 2392951-29-8

3. 3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazine

4. Relutrigine [inn]

5. Aw5c5xhm4w

6. Prax562

7. Chembl5314479

8. Schembl23132181

9. Gtpl12643

10. Bfxbsymvtnefrf-uhfffaoysa-n

11. Glxc-27908

12. Ex-a7203

13. Da-77040

14. Hy-148792

15. Cs-0641132

16. 1,2,4-triazolo(4,3-a)pyrazine, 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl)-

17. 3-(ethoxydifluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3- Yl][1,2,4]triazolo[4,3-a]pyrazine

2.4 Create Date

2020-08-12

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₁F₆N₅O₂
Molecular Weight	407.27 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	74.4
Heavy Atom Count	28
Formal Charge	0
Complexity	528
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Relutrigine