CAS 931-86-2

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4 End Use APIs
4 Related Intermediates

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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

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 Formula	C₃H₄N₄O
Molecular Weight	112.09 g/mol
XLogP3	-1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	112.03851076 g/mol
Monoisotopic Mass	112.03851076 g/mol
Topological Polar Surface Area	79.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	170
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