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Synopsis

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Chemistry

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Also known as: 62973-76-6, Yp2y0drx4s, (e)-2-amino-4-(2-(1-methyl-5-nitroimidazol-2-yl)vinyl)pyrimidine, Azanidazol, Nitromidine, 4-[(e)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine

Molecular Formula

C₁₀H₁₀N₆O₂

Molecular Weight

246.23 g/mol

InChI Key

LHIALLMPKJMSIQ-NSCUHMNNSA-N

FDA UNII

YP2Y0DRX4S

1 2D Structure

Azanidazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine

2.1.2 InChI

InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+

2.1.3 InChI Key

LHIALLMPKJMSIQ-NSCUHMNNSA-N

2.1.4 Canonical SMILES

CN1C(=CN=C1C=CC2=NC(=NC=C2)N)[N+](=O)[O-]

2.1.5 Isomeric SMILES

CN1C(=CN=C1/C=C/C2=NC(=NC=C2)N)[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

YP2Y0DRX4S

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Triclose

2.3.2 Depositor-Supplied Synonyms

1. 62973-76-6

2. Yp2y0drx4s

3. (e)-2-amino-4-(2-(1-methyl-5-nitroimidazol-2-yl)vinyl)pyrimidine

4. Azanidazol

5. Nitromidine

6. 4-[(e)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine

7. Azanidazolum

8. Triclose

9. 2-pyrimidinamine, 4-(2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl)-, (e)-

10. Azanidazol [inn-spanish]

11. Azanidazolum [inn-latin]

12. Unii-yp2y0drx4s

13. Brn 4495385

14. 4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)-ethenyl)-2-pyrimidinamine

15. Azanidazole [usan:inn:ban]

16. Azanidazole [mi]

17. Azanidazole [inn]

18. Azanidazole (usan/inn)

19. Azanidazole [usan]

20. 4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)-aethenyl)-2-pyrimidinamin

21. Pyrimidine, 2-amino-4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl)-

22. 4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)-aethenyl)-2-pyrimidinamin [german]

23. Azanidazole [mart.]

24. Azanidazole [who-dd]

25. Schembl668406

26. Chembl134920

27. Schembl20856187

28. Dtxsid40212180

29. Chebi:135001

30. 4-(2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl)-2-pyrimidinamine (e)

31. Db13350

32. D03028

33. Q523771

34. 4-[2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl]-2-pyrimidinamine

35. (e)-4-(2-(1-methyl-5-nitro-1h-imidazol-2-yl)vinyl)pyrimidin-2-amine

2.4 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀N₆O₂
Molecular Weight	246.23 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	246.08652358 g/mol
Monoisotopic Mass	246.08652358 g/mol
Topological Polar Surface Area	115 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1