CAS 36725-28-7

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Also known as: 36725-28-7, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2h)-pyridazinone, 6-(4-aminophenyl)-5-methyl-4,5-dihydro-2h-pyridazin-3-one, Levosimendan dazinones intermediates, 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1h-pyridazin-6-one, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2h)pyridazinone

Molecular Formula

C₁₁H₁₃N₃O

Molecular Weight

203.24 g/mol

InChI Key

GDMRFHZLKNYRRO-UHFFFAOYSA-N

1 2D Structure

CAS 36725-28-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

2.1.2 InChI

InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)

2.1.3 InChI Key

GDMRFHZLKNYRRO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 6-(4'-aminophenyl)-4,5-dihydro-5-methylpyridazin-3-one

2. Ici 109,081

2.2.2 Depositor-Supplied Synonyms

1. 36725-28-7

2. 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2h)-pyridazinone

3. 6-(4-aminophenyl)-5-methyl-4,5-dihydro-2h-pyridazin-3-one

4. Levosimendan Dazinones Intermediates

5. 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1h-pyridazin-6-one

6. 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2h)pyridazinone

7. 3(2h)-pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-

8. Ici 109,081

9. Mfcd01692712

10. Ici-109081

11. 107295-33-0

12. 6-(4'-aminophenyl)-4,5-dihydro-5-methylpyridazin-3-one

13. 6-(p-aminophenyl)-5-methyl-4,5-dihydropyridazinone

14. 3(4-aminophenyl)-4-methyl-4,5-dihydro-1h-pyridazin-6-one

15. Levosimendan Impurity 5

16. Schembl934905

17. Chembl301353

18. Niosh/ur6330000

19. Dtxsid10957950

20. 3(2h)-pyridazinone,6-(4-aminophenyl)-4,5-dihydro-5-methyl-

21. Amy24999

22. Bcp22084

23. Ac-069

24. Akos015855644

25. Cs-w022429

26. Gs-3262

27. Sy023998

28. Ls-129868

29. Ft-0600355

30. Ft-0639333

31. Ur63300000

32. A800375

33. 6-(4-aminophenyl)-4,5-dihydro-5-methylpyridazinone

34. J-518018

35. 6-(p-aminophenyl)-5-methyl-4,5-dihydropyridaz-3-one

36. Brd-a21608060-001-01-7

37. 6-(4-aminophenyl)-5-methyl-4,5-dihydropyridazin-3-ol

38. 6-(4-aminophenyl)-4,5-dihydro-5-methylpyridazin-3(2h)one

39. 6-(p-aminophenyl)-4,5-dihydro5-methyl-3(2h)-pyridazinone

40. (6-(4-aminophenyl)-5-methyl-4,5-dihydro-3(2h)-pyridazinone)

41. 3(2h)-pyridazinone, 4,5-dihydro-6-(p-aminophenyl)-5-methyl-

42. 4,5-dihydro-6-(4-aminophenyl)-5-methyl-3(2h) Pyridazinone

43. 4,5-dihydro-6-(4-aminophenyl)-5-methyl-3(2h)-pyridazinone

44. 6-(4-amino-phenyl)-5-methyl-4,5-dihydro-3(2h)-pyridazinone

45. 6-(4-aminophenyl)-5-methyl-4,5-dihydro -3(2h)-pyridazinone

46. 6-(4-aminophenyl)-5-methyl-4,5-dihydro-3(2h)-pyridazinone

47. 6-(p-aminophenyl)-4,5-dihydro-5-methyl-3(2h)-pyridazinone

48. 6-(p-aminophenyl)-5-methyl-4,5-dihydro-3(2h)-pyridazinone

49. (-)-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3-(2h)-pyridazinone

50. (-)-6-(4-aminophenyl)-5-methyl-4,5-dihydro-3(2h)-pyridazinone

51. 6-(4-aminophenyl)-5-methyl-2,3,4,5-tetrahydropyridazin-3-one

52. 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1h-pyridazin-6-one;(r)-6-(4-aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃N₃O
Molecular Weight	203.24 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	67.5
Heavy Atom Count	15
Formal Charge	0
Complexity	280
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1