(1R,3R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

Base Information

• Chemical Name: (1R,3R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
• CAS No.: 1263004-47-2
• Molecular Formula: C₁₃H₂₂N₄
• Molecular Weight: 234.344
• European Community (EC) Number: 929-241-8
• UNII: BY6PC963PN
• DSSTox Substance ID: DTXSID60463410
• Nikkaji Number: J2.198.464G,J3.348.921H

Synonyms:(1R,3R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

Chemical Property of (1R,3R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 234.18444672
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=NN=C(N1C2CC3CCC(C2)N3)C(C)C
• Isomeric SMILES: CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3)C(C)C

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