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Also known as: 931-86-2, 4-amino-1,3,5-triazin-2-one, 1,3,5-triazin-2(1h)-one, 4-amino-, 6-amino-1h-1,3,5-triazin-2-one, 4-amino-1,3,5-triazin-2-ol, 4-amino-1,3,5-triazin-2(1h)-one
Molecular Formula
C3H4N4O
Molecular Weight
112.09  g/mol
InChI Key
MFEFTTYGMZOIKO-UHFFFAOYSA-N
FDA UNII
C5UW4MS7VR

CAS 931-86-2
1 2D Structure

CAS 931-86-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-amino-1H-1,3,5-triazin-2-one
2.1.2 InChI
InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)
2.1.3 InChI Key
MFEFTTYGMZOIKO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=NC(=O)NC(=N1)N
2.2 Other Identifiers
2.2.1 UNII
C5UW4MS7VR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 931-86-2

2. 4-amino-1,3,5-triazin-2-one

3. 1,3,5-triazin-2(1h)-one, 4-amino-

4. 6-amino-1h-1,3,5-triazin-2-one

5. 4-amino-1,3,5-triazin-2-ol

6. 4-amino-1,3,5-triazin-2(1h)-one

7. 6-amino-1,3,5-triazin-2(1h)-one

8. 5-aza Cytosine

9. S-triazin-2(1h)-one, 4-amino-

10. S-triazin-2-ol, 4-amino-

11. Nsc 54006

12. 2-amino-4-hydroxy-s-triazine

13. C5uw4ms7vr

14. 2-hydroxy-4-aminotriazine

15. 4040-10-2

16. 4-amino-s-triazin-2(1h)-one

17. Chembl1230389

18. 6-amino-1,2-dihydro-1,3,5-triazin-2-one

19. Chebi:72474

20. 2-amino-4-hydroxy-1,3,5-triazine

21. 4-amino-2-hydroxy-1,3,5-triazine

22. Mfcd00006033

23. Nsc-51100

24. Nsc-54006

25. 4-amino-1h-1,3,5-triazin-2-one

26. 5-azacytosine (4-amino-1,3,5-triazin-2(1h)-one)

27. 1118000-83-1

28. Einecs 213-242-9

29. Nsc 51100

30. Azacytosine

31. Azacitidine Related Compound A

32. 5-aza-cytosine

33. 5az

34. Unii-c5uw4ms7vr

35. Schembl13863

36. 2-amino-4-hydroxy-sym-triazine

37. Schembl21169645

38. Dtxsid80239275

39. Bcp22914

40. Nsc51100

41. Nsc54006

42. Bdbm50389508

43. Mfcd00051007

44. Zinc12358729

45. Akos002658026

46. Akos015854832

47. Akos015919837

48. Am81319

49. 4-methoxy Phencyclidine-d4 Hydrochloride

50. 1216950-61-6

51. Ac-12915

52. As-10943

53. Sy030603

54. 4-amino-1,3,5-triazin-2(1h)-one #

55. Db-006956

56. Cs-0008471

57. Ft-0601310

58. A-9450

59. A51119

60. Azacitidine Related Compound A [usp-rs]

61. 931a862

62. A844469

63. 3,4-dihydro-2h-benzo[1,4]oxazine-6-carboxylicacid

64. Q27139948

65. Z1962222528

66. 2-amino-4-hydroxy-1,3,5-triazine; 4-amino-1,3,5-triazin-2-one

67. Azacitidine Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 112.09 g/mol
Molecular Formula C3H4N4O
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass112.03851076 g/mol
Monoisotopic Mass112.03851076 g/mol
Topological Polar Surface Area79.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity170
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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