4-{[4-(5-Amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl}benzonitrile

Base Information

• Chemical Name: 4-{[4-(5-Amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl}benzonitrile
• CAS No.: 89292-97-7
• Molecular Formula: C14H17N7
• ChEMBL ID: CHEMBL152429
• DSSTox Substance ID: DTXSID80533265
• Wikidata: Q82406460

Synonyms:89292-97-7;CHEMBL152429;SCHEMBL11201299;SCHEMBL16825711;DTXSID80533265;4-{[4-(5-Amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl}benzonitrile

Chemical Property of 4-{[4-(5-Amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl}benzonitrile

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 283.15454357
• Heavy Atom Count: 21
• Complexity: 376

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=NNC(=N3)N

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