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Also known as: 106461-41-0, 2,4-dihydro-4-[(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazole-3-one, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazole-3-one, Obt4egvazu, 2-butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl]-1-piperazinyl]-phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one
Molecular Formula
C22H27N5O2
Molecular Weight
393.5  g/mol
InChI Key
FFAQILVGBAELHN-UHFFFAOYSA-N
FDA UNII
OBT4EGVAZU

CAS 106461-41-0
1 2D Structure

CAS 106461-41-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
2.1.2 InChI
InChI=1S/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3
2.1.3 InChI Key
FFAQILVGBAELHN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O
2.2 Other Identifiers
2.2.1 UNII
OBT4EGVAZU
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 106461-41-0

2. 2,4-dihydro-4-[(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazole-3-one

3. 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazole-3-one

4. Obt4egvazu

5. 2-butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

6. 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl]-1-piperazinyl]-phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one

7. 2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one

8. 2,4-dihydro-4-[4-[4-(4-hydroxylphenyl)piperazin-1-yl]phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one

9. T-1330

10. 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl]-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazol-3-on

11. 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl]-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one

12. 2-(sec-butyl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3h-1,2,4-triazol-3-one

13. 2-sec-butyl-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3h-1,2,4-triazol-3-one

14. 4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(1rs)-1-methylpropyl]-2,4-dihydro-3h-1,2,4-triazol-3-one

15. 2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl)-3h-1,2,4-triazole-3-one

16. 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]-phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one

17. Unii-obt4egvazu

18. Ec 434-820-9

19. Oprea1_160322

20. Mls000705004

21. Schembl2543291

22. Chembl1310553

23. Dtxsid60403376

24. Hms2553f09

25. Act01843

26. Bcp20531

27. Akos015900401

28. Ac-5588

29. 1-sec-butyl-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1h-1,2,4-triazol-5(4h)-one

30. Ds-14924

31. Smr000231829

32. Db-019953

33. Cs-0169055

34. Ft-0657081

35. Ft-0664135

36. O10328

37. 461d410

38. A843340

39. Ap-312/40633641

40. 2,4-dihydro-4-[4-[4-hydroxyphenyl]-1-piperazinyl] Phenyl]-2-

41. 1-(1-methylpropyl)-4-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]-1h-1,2,4-triazole-5(4h)-one

42. 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1methylpropyl)-3h-1,2,4-triazole-3-one

43. 2-(butan-2-yl)-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3h-1,2,4-triazol-3-one

44. 2-sec-butyl-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-[1,2,4]triazol-3-one

2.4 Create Date
2005-09-14
3 Chemical and Physical Properties
Molecular Weight 393.5 g/mol
Molecular Formula C22H27N5O2
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass393.21647512 g/mol
Monoisotopic Mass393.21647512 g/mol
Topological Polar Surface Area62.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Virtual BoothZeon Pharma is a manufacturer and supplier of APIs & Intermediates.

2,4-Dihydro-4[4-(4-hydroxy phenyl)-1-piperazinyl]p...

CAS Number : 106461-41-0

End Use API :

About the Company : Zeon Pharma Industries India Pvt ltd is an ISO & GMP certified manufacturer of Bulk drugs & Intermediate and also supplies our associate mfg plant API / Semi finish formulations/ Exi...

Zeon Pharma Industries India Pvt Ltd

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2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl]-1-piperaziny...

CAS Number : 106461-41-0

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About the Company : Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediates manufacturing companies in India. Our Plant is Located in Jaggaiahpet APIIC In...

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4-[4-[4-(4-Hydroxy phenyl) piperazinyl]phenyl]-1-(...

CAS Number : 106461-41-0

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About the Company : Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufacturing Active Pharmaceutical Ingredients, API Intermediates and NDDS/Pellets for th...

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2,4-dihydro-4-[4-[4-[4-hydroxy phenyl]-1-piperazin...

CAS Number : 106461-41-0

End Use API :

About the Company : SMS Lifesciences is a global player in APIs/Intermediates manufacturing having a strong research and manufacturing team supported by state of the art facilities. What started off as a s...

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