(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
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![(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a8d987cc9ccd407e902e39aa8ec589ee.png "(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane")
(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
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CAS No:
423165-07-5
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Formula:
C13H22N4
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Chemical Name:
(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
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Synonyms:
(3-Exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl] -8-Azabicyclo[3.2.1]octane;Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl] Maraviroc;UK 408027;(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane;8-Azabicyclo[3,2,1]octane3-[3-methyl-5-(1-methlethyl)-4H-1,2,4-triazol-4-yl]-,(3-exo)-;Maraviroc Intermediate 2;Maraviroc interMediate(Tropinone);(3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane
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CAS No:
(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane Basic Attributes
234.34
234.184448
1533716-785-6
DTXSID60463410
(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane Use and Manufacturing
Synthesis of 3-(3-isopropyl-5-methyl-4H-1.2.4-triazol-4-yl)-8- azabicvclor3.2.11octane 103 (YStep 12 Step 6:[109] Synthesis of 3-(3-isopropyl-5-methyl-4H-1.2.4-triazol-4-yl)-8- azabicvclor3.2.11octane 103 (YStep 12 Step 6:General procedure: To an aqueous solution of active hydrogen containing amide, few drops of aqueous ammonia solution (1 eq.) and secondary amine (1 eq.) were added in drops in an ice-cold solution under constant stirring for dissolution. Aromatic aldehydes dissolved in methanol, added dropwise to the above mixture and stirring was continued for 2 h. The formation of compounds were observed within 30 min. Reaction was monitored by TLC, after completion of reaction, the product was filtered and washed with distilled water and dried at 45-50 C.
A metabolite of Maraviroc
Computed Properties
Molecular Weight:234.34
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:234.18444672
Monoisotopic Mass:234.18444672
Topological Polar Surface Area:42.7
Heavy Atom Count:17
Complexity:269
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
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