CAS 937046-98-5

1 2D Structure

CAS 937046-98-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine

2.1.2 InChI

InChI=1S/C6H5BrN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10)

2.1.3 InChI Key

YGCJBESZJIGDMP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C2C(=NC=NN2C(=C1)Br)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 937046-98-5

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

3. 7-bromopyrrolo[1,2-f][1,2,4]triazin-4-amine

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

5. Mfcd09033848

6. 4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine

7. Schembl57305

8. Dtxsid20654685

9. Amy19189

10. Cl0265

11. Zinc11919362

12. Akos005208025

13. Cs-w000773

14. Pb17586

15. Ac-31299

16. Am807459

17. Ds-15320

18. Sy020952

19. Db-079668

20. Ft-0685175

21. 7-bromo-pyrrolo[2,1-f][1,2,4]triazin-4-amine

22. 7-bromopyrrolo[2,1-f][1,2,4]triazine-4-amine

23. A859669

24. J-514415

25. Pyrrolo[2,1-f][1,2,4]triazin-4-amine, 7-bromo-

2.3 Create Date

2009-05-30

3 Chemical and Physical Properties

Molecular Formula	C₆H₅BrN₄
Molecular Weight	213.03 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	211.96976 g/mol
Monoisotopic Mass	211.96976 g/mol
Topological Polar Surface Area	56.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154
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

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CAS 937046-98-5

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