Home Nitriles 1,3,4-Oxadiazole-2-carbonitrile,5-amino-(9CI)

1,3,4-Oxadiazole-2-carbonitrile,5-amino-(9CI)

CAS No.:
134318-57-3
Catalog Number:
AG009YLG
Molecular Formula:
C3H2N4O
Molecular Weight:
110.0742
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Product Description
Catalog Number:
AG009YLG
Chemical Name:
1,3,4-Oxadiazole-2-carbonitrile,5-amino-(9CI)
CAS Number:
134318-57-3
Molecular Formula:
C3H2N4O
Molecular Weight:
110.0742
MDL Number:
MFCD18805131
IUPAC Name:
5-amino-1,3,4-oxadiazole-2-carbonitrile
InChI:
InChI=1S/C3H2N4O/c4-1-2-6-7-3(5)8-2/h(H2,5,7)
InChI Key:
LFUREFHSSJAYRO-UHFFFAOYSA-N
SMILES:
Nc1nnc(o1)C#N
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.023g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
110.076g/mol
Monoisotopic Mass:
110.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties