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Also known as: 18591-57-6, 5,6-diphenyl-1h-pyrazin-2-one, 5,6-diphenylpyrazinol, 5,6-diphenyl-2-pyrazinol, Pyrazinol, 5,6-diphenyl- (8ci); 2-hydroxy-5,6-diphenylpyrazine; 5,6-diphenyl-2(1h)-pyrazinone; 5,6-diphenyl-2-hydroxypyrazine, 2-hydroxy-5,6-diphenylpyrazine
Molecular Formula
C16H12N2O
Molecular Weight
248.28  g/mol
InChI Key
LTWBZUZTTUVPIM-UHFFFAOYSA-N

CAS 18591-57-6
1 2D Structure

CAS 18591-57-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5,6-diphenyl-1H-pyrazin-2-one
2.1.2 InChI
InChI=1S/C16H12N2O/c19-14-11-17-15(12-7-3-1-4-8-12)16(18-14)13-9-5-2-6-10-13/h1-11H,(H,18,19)
2.1.3 InChI Key
LTWBZUZTTUVPIM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C2=C(N=CC(=O)N2)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 18591-57-6

2. 5,6-diphenyl-1h-pyrazin-2-one

3. 5,6-diphenylpyrazinol

4. 5,6-diphenyl-2-pyrazinol

5. Pyrazinol, 5,6-diphenyl- (8ci); 2-hydroxy-5,6-diphenylpyrazine; 5,6-diphenyl-2(1h)-pyrazinone; 5,6-diphenyl-2-hydroxypyrazine

6. 2-hydroxy-5,6-diphenylpyrazine

7. Chemdiv2_002136

8. 5,6-diphenylpyrazine-2-ol

9. 5,6-diphenyl-2-pyrazinol #

10. Amy255

11. Schembl1888851

12. Dtxsid20347222

13. Hms1375b02

14. 5,6-diphenyl-pyrazin-2(1h)-one

15. Bcp14935

16. Cs-m3067

17. Zinc8931833

18. Mfcd00234902

19. Pyrazine, 2,3-diphenyl-5-hydroxy-

20. Stk767612

21. Akos001730602

22. Ccg-329616

23. Ds-13123

24. Db-011395

25. Ft-0729415

26. Ac-907/25005315

27. Sr-01000537712

28. Sr-01000537712-1

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 248.28 g/mol
Molecular Formula C16H12N2O
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass248.094963011 g/mol
Monoisotopic Mass248.094963011 g/mol
Topological Polar Surface Area41.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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