(3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane | CAS No. 423165-07-5

(3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

Basic Information

CAS Number

423165-07-5

Molecular Formula

C13H22N4

Molecular Weight

234.35 g/mol

AD

Basic Physical Properties

Melting Point

117 ºC

CC1=NN=C(N1C2CC3CCC(C2)N3)C(C)C

InChI

InChI=1S/C13H22N4/c1-8(2)13-16-15-9(3)17(13)12-6-10-4-5-11(7-12)14-10/h8,10-12,14H,4-7H2,1-3H3/t10-,11+,12-

InChIKey

CEIRCCADSFHOQD-ZSBIGDGJSA-N

LogP

2.16542

Topological Polar Surface Area

42.74 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

269

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • DTXSID60463410
  • DS-4082
  • AC-27020
  • (1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
  • BCP12725
  • A857072
  • 1263004-47-2
  • SCHEMBL18815624
  • 423165-07-5
  • BY6PC963PN
  • (1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
  • (1R,3s,5S)-rel-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
  • MFCD12912695
  • (3-endo)-3-[3-Methyl-5-(1-methylethyl)-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
  • AKOS025400984
  • SCHEMBL13543097
  • (1R,5S)-3-[3-Methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane
  • exo-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
  • AKOS015918410
  • SCHEMBL13543096
  • CS-0154262
  • 8-Azabicyclo[3.2.1]octane, 3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-, (3-endo)-
  • (1R,3s,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octane;(1R,3s,5S)-rel-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
  • Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl] Maraviroc
  • 8-Azabicyclo[3.2.1]octane, 3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-, (3-exo)-
  • UK 408027
  • AK103286
  • C13H22N4
  • 5843AB
  • OR48267

MDL Number

MFCD12912695

FAQ

What regulatory guidelines apply to (3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane (CAS: 423165-07-5)?

This compound falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is subject to regulation under REACH in Europe. In the USA, it is regulated by the EPA and FDA. Specific hazard classification and reporting requirements should be reviewed based on its intended use and storage conditions.

Are there alternatives to (3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane (CAS: 423165-07-5) in synthesis?

Synthetic alternatives may include similar functionalized azabicycles or related triazole derivatives. Isomers or analogs like (3-exo)-3-(3-tert-Butyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane may also serve as effective substitutes in certain applications.

What is the market or research trend for (3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane (CAS: 423165-07-5)?

Market trends suggest increasing interest in novel azabicyclic compounds for their potential in drug discovery and material science applications. Research is focusing on optimizing synthesis methods and exploring new applications in biopharmaceuticals and catalysis.

How should waste containing (3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane (CAS: 423165-07-5) be handled?

Waste should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration may be a suitable method if the waste is non-hazardous, or it should be neutralized and then disposed of in accordance with local and federal regulations to minimize environmental impact.

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