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Home Amines 894217-85-7
894217-85-7,MFCD00171214
Catalog No.:AA00IZY1

894217-85-7 | 5-phenyl-3-[(1H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one

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Technical Information
Catalog Number:
AA00IZY1
Chemical Name:
5-phenyl-3-[(1H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one
CAS Number:
894217-85-7
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
MDL Number:
MFCD00171214
SMILES:
O=C1C=C(Nc2n[nH]cn2)CC(C1)c1ccccc1
Properties
Computed Properties
 
Complexity:
363  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.9  

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SDS
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Tags:894217-85-7 Molecular Formula|894217-85-7 MDL|894217-85-7 SMILES|894217-85-7 5-phenyl-3-[(1H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one