1H-[1,2,4]Triazolo[4,3-a][1,4]diazepine

Base Information

• Chemical Name: 1H-[1,2,4]Triazolo[4,3-a][1,4]diazepine
• CAS No.: 108775-12-8
• Molecular Formula: C6H6 N4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50602179
• Mol file: 108775-12-8.mol

Synonyms:108775-12-8;1H-[1,2,4]Triazolo[4,3-a][1,4]diazepine;1H-1,2,4-Triazolo[4,3-a][1,4]diazepine(9CI);SCHEMBL14746363;DTXSID50602179;F15277;1H-1,2,4-TRIAZOLO[4,3-A][1,4]DIAZEPINE

Chemical Property of 1H-[1,2,4]Triazolo[4,3-a][1,4]diazepine

Chemical Property:

• PSA: 45.98000
• LogP: 0.61960
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 134.059246208
• Heavy Atom Count: 10
• Complexity: 249

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C=NNC2=CN=C1

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