N-{(E)-[5-(4-fluorophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine

Base Information

• Chemical Name: N-{(E)-[5-(4-fluorophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine
• CAS No.: 5845-27-2
• Molecular Formula: C5H12 Br N . Br H
• Molecular Weight: 256.2352
• DSSTox Substance ID: DTXSID80417177
• ChEMBL ID: CHEMBL3192685

Synonyms:5845-27-2;N-{(E)-[5-(4-fluorophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine;(E)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine;AC1NT3DZ;MLS001183542;CHEMBL3192685;DTXSID80417177;CCG-13260;STK056681;AKOS002187073;SMR000502084;BIM-0021161.P001;AB00685655-01

Chemical Property of N-{(E)-[5-(4-fluorophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine

Chemical Property:

• Vapor Pressure: 4.4E-08mmHg at 25°C
• Boiling Point: 444.1°C at 760 mmHg
• Flash Point: 222.4°C
• Density: 1.34g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 256.07603909
• Heavy Atom Count: 19
• Complexity: 314

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=NN3C=NN=C3)F
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(O2)/C=N/N3C=NN=C3)F

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