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2D Structure
Also known as: 119192-10-8, 4-((1h-1,2,4-triazol-1-yl)methyl)aniline, 1-(4-aminobenzyl)-1,2,4-triazole, 4-(1,2,4-triazol-1-ylmethyl)aniline, Benzenamine, 4-(1h-1,2,4-triazol-1-ylmethyl)-, 4-(1h-1,2,4-triazol-1-ylmethyl)benzenamine
Molecular Formula
C9H10N4
Molecular Weight
174.20  g/mol
InChI Key
ZGLQVRIVLWGDNA-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(1,2,4-triazol-1-ylmethyl)aniline
2.1.2 InChI
InChI=1S/C9H10N4/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2
2.1.3 InChI Key
ZGLQVRIVLWGDNA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CN2C=NC=N2)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 119192-10-8

2. 4-((1h-1,2,4-triazol-1-yl)methyl)aniline

3. 1-(4-aminobenzyl)-1,2,4-triazole

4. 4-(1,2,4-triazol-1-ylmethyl)aniline

5. Benzenamine, 4-(1h-1,2,4-triazol-1-ylmethyl)-

6. 4-(1h-1,2,4-triazol-1-ylmethyl)benzenamine

7. 4-[1,2,4]triazol-1-ylmethylphenylamine

8. 4-(1h-1,2,4-triazol-1-yl-methyl)benzenamine

9. 4-[(1h-1,2,4-triazol-1-yl)methyl]aniline

10. Mfcd00973306

11. 4-[1,2,4]triazol-1-ylmethyl-phenylamine

12. 1-(4-aminobenzyl)-1h-1,2,4-triazole

13. Schembl264856

14. Schembl3460891

15. Dtxsid00356296

16. Stk347700

17. Akos000127887

18. Ac-3463

19. Cs-w002719

20. Sy005205

21. Ts-02410

22. 1-(4-aminophenyl)methyl-1,2,4-triazole

23. 4-(1,2,4-triazol-1-yl-methyl)-aniline

24. 1-(4-aminophenyl) Methyl-1,2,4-triazole

25. Db-017257

26. Db-295021

27. Db-345276

28. 4-(1h-1,2,4-triazol-1-ylmethyl) Aniline

29. 4-[1h-1,2,4-triazol-1-yl Methyl]aniline

30. Am20050533

31. En300-30834

32. 4-(1h-1,2,4-triazol-1-ylmethyl)phenylamine

33. Ar-011/40584933

34. Q-200423

35. 4-(1h-1,2,4-triazol-1-ylmethyl)aniline, Aldrichcpr

36. Z239137448

37. 4-((1h-1,2,4-triazol-1-yl)methyl)benzenamine;1-(4-aminobenzyl)-1,2,4-triazole

38. 1092370-48-3

2.3 Create Date
2005-07-09
3 Chemical and Physical Properties
Molecular Weight 174.20 g/mol
Molecular Formula C9H10N4
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area56.7
Heavy Atom Count13
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1