CAS 212248-62-9

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1 End Use APIs
12 Related Intermediates

Chemistry

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Also known as: 144035-22-3, 212248-62-9, 1-[(4-hydrazinylphenyl)methyl]-1h-1,2,4-triazole, [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine, 1-(4-hydrazinophenyl)methyl-1,2,4-triazole, 1-(4-hydrazinobenzyl)-1h-1,2,4-triazole

Molecular Formula

C₉H₁₁N₅

Molecular Weight

189.22 g/mol

InChI Key

FUJKUTJPEGEMHG-UHFFFAOYSA-N

FDA UNII

335U9MFY9M

1 2D Structure

CAS 212248-62-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine

2.1.2 InChI

InChI=1S/C9H11N5/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14/h1-4,6-7,13H,5,10H2

2.1.3 InChI Key

FUJKUTJPEGEMHG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CN2C=NC=N2)NN

2.2 Other Identifiers

2.2.1 UNII

335U9MFY9M

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 144035-22-3

2. 212248-62-9

3. 1-[(4-hydrazinylphenyl)methyl]-1h-1,2,4-triazole

4. [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine

5. 1-(4-hydrazinophenyl)methyl-1,2,4-triazole

6. 1-(4-hydrazinobenzyl)-1h-1,2,4-triazole

7. 335u9mfy9m

8. 1-((4-hydrazinylphenyl)methyl)-1h-1,2,4-triazole

9. 1h-1,2,4-triazole, 1-((4-hydrazinylphenyl)methyl)-

10. 1h-1,2,4-triazole, 1-[(4-hydrazinylphenyl)methyl]-

11. (1h-1-[(4-hydrazinophenyl)-methyl]-1,2,4-triazole Dihydrochloride

12. 4-[(1,2,4-triazol-1-yl)methyl]phenylhydrazine Dihydrochloride

13. Unii-335u9mfy9m

14. 1h-1,2,4-triazole, 1-[(4-hydrazinophenyl)methyl]-

15. Schembl4555632

16. Zinc5046713

17. Akos006292887

18. Ac-3465

19. Db-063512

20. Db-066454

21. Ft-0669259

22. Ft-0719996

23. 4-(1,2,4-triazol-1-ylmethyl)phenylhydrazine

24. 4-(1,2,4-triazol-1-ylmethyl)phenyl Hydrazine

25. D91037

26. 248h629

27. Ar-011/42531524

28. J-007904

2.4 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁N₅
Molecular Weight	189.22 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	68.8
Heavy Atom Count	14
Formal Charge	0
Complexity	167
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