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2D Structure
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

1 2D Structure

2D Structure

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