CAS 444731-72-0

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Also known as: 444731-72-0, 2,3-dimethylindazol-6-amine, 2,3-dimethyl-6-amino-2h-indazole, 6-amino-2,3-dimethyl-2h-indazole, 2,3-dimethyl-2h-indazol-6-ylamine, Schembl588669

Molecular Formula

C₉H₁₁N₃

Molecular Weight

161.20 g/mol

InChI Key

PVNVSSNARYHLRF-UHFFFAOYSA-N

1 2D Structure

CAS 444731-72-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dimethylindazol-6-amine

2.1.2 InChI

InChI=1S/C9H11N3/c1-6-8-4-3-7(10)5-9(8)11-12(6)2/h3-5H,10H2,1-2H3

2.1.3 InChI Key

PVNVSSNARYHLRF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C2C=CC(=CC2=NN1C)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 444731-72-0

2. 2,3-dimethylindazol-6-amine

3. 2,3-dimethyl-6-amino-2h-indazole

4. 6-amino-2,3-dimethyl-2h-indazole

5. 2,3-dimethyl-2h-indazol-6-ylamine

6. Schembl588669

7. Amy288

8. Dtxsid10468278

9. Bcp12745

10. Cs-b0766

11. Mfcd09258896

12. Zinc31777127

13. Akos006330849

14. Gs-6672

15. Pb26443

16. Ac-24856

17. Db-037970

18. Ft-0684739

19. 731d720

20. A826589

21. J-518217

22. Z2182115473

23. 2,3-dimethylindazol-6-amine;2,3-dimethyl-2h-indazol-6-amine

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁N₃
Molecular Weight	161.20 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	161.095297364 g/mol
Monoisotopic Mass	161.095297364 g/mol
Topological Polar Surface Area	43.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171
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