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Also known as: 504-08-5, 2,4-diamino-1,3,5-triazine, Formoguanamine, Guanamine, 4,6-diamino-s-triazine, Diamino-s-triazine
Molecular Formula
C3H5N5
Molecular Weight
111.11  g/mol
InChI Key
VZXTWGWHSMCWGA-UHFFFAOYSA-N
FDA UNII
A6GN3JB7H4

CAS 504-08-5
1 2D Structure

CAS 504-08-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3,5-triazine-2,4-diamine
2.1.2 InChI
InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)
2.1.3 InChI Key
VZXTWGWHSMCWGA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=NC(=NC(=N1)N)N
2.2 Other Identifiers
2.2.1 UNII
A6GN3JB7H4
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,4-diamino-s-triazine

2. Formoguanamine

2.3.2 Depositor-Supplied Synonyms

1. 504-08-5

2. 2,4-diamino-1,3,5-triazine

3. Formoguanamine

4. Guanamine

5. 4,6-diamino-s-triazine

6. Diamino-s-triazine

7. 2,6-diamino-s-triazine

8. 2,4-diamino-s-triazine

9. S-triazine, 2,4-diamino-

10. Nsc 251

11. A6gn3jb7h4

12. Nsc-251

13. Einecs 207-983-7

14. S-triazine,4-diamino-

15. Ai3-51263

16. Unii-a6gn3jb7h4

17. Schembl65511

18. Yswg323

19. 1,5-triazine-2,4-diamine

20. Fmoc-(3-aminophenyl)aceticacid

21. Nsc251

22. 2,4-diaminotriazine (related)

23. Dtxsid7074292

24. Chebi:38071

25. [1,3,5]triazine-2,4-diamine

26. Albb-014718

27. Zinc1445475

28. Mfcd00014598

29. Stk256616

30. Akos005174532

31. Sb73700

32. As-48301

33. Cs-0110380

34. D2227

35. Ft-0609961

36. D-2227

37. F30229

38. A871573

39. Q27117366

40. Zzs

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 111.11 g/mol
Molecular Formula C3H5N5
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass111.05449518 g/mol
Monoisotopic Mass111.05449518 g/mol
Topological Polar Surface Area90.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.1
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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