CAS 267413-25-2

1 2D Structure

CAS 267413-25-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1H-indazol-5-ylmethanamine

2.1.2 InChI

InChI=1S/C8H9N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,4,9H2,(H,10,11)

2.1.3 InChI Key

AQMGFFLBKVOJLW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=C1CN)C=NN2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 267413-25-2

2. 1h-indazol-5-ylmethanamine

3. 5-aminomethyl-1h-indazole

4. 1h-indazole-5-methanamine

5. 5-aminomethyl Indazole

6. C-(1h-indazol-5-yl)-methylamine

7. 5-(aminomethyl)-1h-indazole

8. 5-(aminomethyl)indazole

9. 1-(1h-indazol-5-yl)methanamine

10. 5-aminomethylindazole

11. Schembl264211

12. Chembl4784594

13. Dtxsid40477479

14. 1-(1h-indazole-5-yl)methanamine

15. 5-aminomethyl Indazole, Aldrichcpr

16. Bcp23456

17. Mfcd09028157

18. Stl282216

19. Zinc19045771

20. Akos006281177

21. Pb26424

22. Ps-4788

23. Sb10118

24. Db-020983

25. A5259

26. Cs-0006080

27. Ft-0685928

28. J-500186

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₈H₉N₃
Molecular Weight	147.18 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	147.079647300 g/mol
Monoisotopic Mass	147.079647300 g/mol
Topological Polar Surface Area	54.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	137
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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