CAS 159326-68-8

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3 End Use APIs
23 Related Intermediates

Chemistry

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Also known as: 159326-68-8, Pyrrolo[1,2-f][1,2,4]triazin-4-amine, 4-aminopyrrolo[2,1-f][1,2,4]triazine, Chembl3326650, Mfcd08234647, 4-aminopyrrolo<2,1-f><1,2,4>triazine

Molecular Formula

C₆H₆N₄

Molecular Weight

134.14 g/mol

InChI Key

VSPXQZSDPSOPRO-UHFFFAOYSA-N

1 2D Structure

CAS 159326-68-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyrrolo[2,1-f][1,2,4]triazin-4-amine

2.1.2 InChI

InChI=1S/C6H6N4/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H,(H2,7,8,9)

2.1.3 InChI Key

VSPXQZSDPSOPRO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN2C(=C1)C(=NC=N2)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 159326-68-8

2. Pyrrolo[1,2-f][1,2,4]triazin-4-amine

3. 4-aminopyrrolo[2,1-f][1,2,4]triazine

4. Chembl3326650

5. Mfcd08234647

6. 4-aminopyrrolo<2,1-f><1,2,4>triazine

7. 4-amino-pyrrolo[2,1-f][1,2,4]triazin

8. Pyrrolo[2,1-f][1,2,4]triazin-4-ylamine

9. Schembl58274

10. Amot0376

11. Dtxsid60439872

12. Bcp21731

13. Zinc8764136

14. Bdbm50058690

15. (r)-2-aminocyclohenanol Hydrochloride

16. Akos005206763

17. Am85611

18. Cs-w003471

19. Pb17489

20. Ac-31298

21. Am807056

22. Sy015727

23. Ts-01733

24. 4-aminopyrrolo[2,1-f][1,2,4]-triazine

25. Db-024277

26. Ft-0684945

27. Pyrrolo[2,1-f][1,2,4]-triazin-4-amine

28. 8h-pyrrolo[2,1-f][1,2,4]triazin-4-yl-amine

29. A810019

30. 4-amino-pyrrolo[2,1-f][1,2,4]triazine

31. W-205841

32. Pyrrolo[1,2-f][1,2,4]triazin-4-amine, Aldrichcpr

33. Pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-aminopyrrolo[2,1-f][1,2,4]triazine

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₆H₆N₄
Molecular Weight	134.14 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	134.059246208 g/mol
Monoisotopic Mass	134.059246208 g/mol
Topological Polar Surface Area	56.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	127
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