Ammelide

Synopsis, Chemistry

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Also known as: 645-93-2, 6-amino-1,3,5-triazine-2,4-diol, 6-amino-s-triazine-2,4-diol, 6-amino-1,3,5-triazine-2,4(1h,3h)-dione, 1,3,5-triazine-2,4(1h,3h)-dione, 6-amino-, 6-amino-1h-1,3,5-triazine-2,4-dione

Molecular Formula

C₃H₄N₄O₂

Molecular Weight

128.09 g/mol

InChI Key

YSKUZVBSHIWEFK-UHFFFAOYSA-N

FDA UNII

J604QC4098

1 2D Structure

Ammelide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-amino-1H-1,3,5-triazine-2,4-dione

2.1.2 InChI

InChI=1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)

2.1.3 InChI Key

YSKUZVBSHIWEFK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1(=NC(=O)NC(=O)N1)N

2.2 Other Identifiers

2.2.1 UNII

J604QC4098

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 6-amino-1,3,5-triazine-2,4(1h,3h)-dione

2. Ammelide Copper

2.3.2 Depositor-Supplied Synonyms

1. 645-93-2

2. 6-amino-1,3,5-triazine-2,4-diol

3. 6-amino-s-triazine-2,4-diol

4. 6-amino-1,3,5-triazine-2,4(1h,3h)-dione

5. 1,3,5-triazine-2,4(1h,3h)-dione, 6-amino-

6. 6-amino-1h-1,3,5-triazine-2,4-dione

7. 2,4-dihydroxy-6-amino-1,3,5-triazine

8. Dtxsid10214757

9. Nsc-8146

10. Ammedlide

11. J604qc4098

12. 167613-80-1

13. Ammelide-13c3

14. 1,3,5-triazine-2,4-diol,6-amino-(9ci)

15. Melanuric Acid

16. Unii-j604qc4098

17. Nsc 8146

18. Einecs 211-456-7

19. Ammelide; 98%

20. Cyanuric Acid Monoamide

21. Ai3-61038

22. Schembl36691

23. Ammelide, Analytical Standard

24. Chebi:28134

25. Nsc8146

26. Terbuthylazine-tp Mt24 (lm1)

27. Mfcd00049046

28. Stl186172

29. Zinc13529033

30. Akos006222979

31. Akos022175465

32. Sb73399

33. Cid 5281299

34. As-60764

35. 6-azanyl-1h-1,3,5-triazine-2,4-dione

36. Db-054694

37. A0645

38. Ft-0622302

39. C08734

40. T71177

41. 6-amino-2,4-dihydroxy-1,3,5-triazine

42. A834821

43. Q4747226

44. Dihydro-6-imino-1,3,5-triazine-2,4(1h,3h)-dione

45. 6-amino-1,3,5-triazine-2,4(1h,3h)-dione, Aldrichcpr

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₃H₄N₄O₂
Molecular Weight	128.09 g/mol
XLogP3	-1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.03342538 g/mol
Monoisotopic Mass	128.03342538 g/mol
Topological Polar Surface Area	96.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	196
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