CAS 219715-62-5

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 219715-62-5, 2-amino-5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine, [1,2,4]triazolo[1,5-c]pyrimidin-2-amine, 5,8-dimethoxy-, 5,8-dimethoxy(1,2,4)triazolo(1,5-c)pyrimidin-2-amine, 2-amino-5,8-dimethoxy-(1,2,4)triazolo(1,5-c)pyrimidine, (1,2,4)triazolo(1,5-c)pyrimidin-2-amine, 5,8-dimethoxy-

Molecular Formula

C₇H₉N₅O₂

Molecular Weight

195.18 g/mol

InChI Key

DBJPBHJHAPAUQU-UHFFFAOYSA-N

FDA UNII

0129526470

1 2D Structure

CAS 219715-62-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

2.1.2 InChI

InChI=1S/C7H9N5O2/c1-13-4-3-9-7(14-2)12-5(4)10-6(8)11-12/h3H,1-2H3,(H2,8,11)

2.1.3 InChI Key

DBJPBHJHAPAUQU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CN=C(N2C1=NC(=N2)N)OC

2.2 Other Identifiers

2.2.1 UNII

0129526470

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 219715-62-5

2. 2-amino-5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine

3. [1,2,4]triazolo[1,5-c]pyrimidin-2-amine, 5,8-dimethoxy-

4. 5,8-dimethoxy(1,2,4)triazolo(1,5-c)pyrimidin-2-amine

5. 2-amino-5,8-dimethoxy-(1,2,4)triazolo(1,5-c)pyrimidine

6. (1,2,4)triazolo(1,5-c)pyrimidin-2-amine, 5,8-dimethoxy-

7. 5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

8. 2-amino-5,8-dimethoxy(1,2,4)triazolo[1,5-c]pyrimidine

9. 2-amino-5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidine

10. Schembl841314

11. Amy3496

12. Dtxsid70466114

13. Bcp11311

14. Mfcd17168561

15. Zinc82237868

16. Akos015999945

17. Cs-w006757

18. Unii-0129526470

19. Ac-27550

20. As-19932

21. Db-017447

22. A4709

23. Bb 0262089

24. Ft-0688434

25. D70654

26. Q27247522

27. 2-amino-5,8-dimethoxy[1,2,4]triazolo[l,5-c]pyrimidine

28. 2-amino-5,8-dimethoxy[1,2,4]-triazolo[1,5-c]pyrimidine

29. 5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidine-2-amine

30. 5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine-2-ylamine

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₉N₅O₂
Molecular Weight	195.18 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	195.07562455 g/mol
Monoisotopic Mass	195.07562455 g/mol
Topological Polar Surface Area	87.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205
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