-ISIS-  08091621332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.1458    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9583   -0.2708    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4583    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7583    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9583   -1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7083    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
  4  5  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ID> (BBL000570)
BBL000570

>  <Rotatable_Bonds> (BBL000570)
2

>  <logP> (BBL000570)
0.56

>  <PSA> (BBL000570)
121.31

>  <H_Donors> (BBL000570)
2

>  <H_Acceptors> (BBL000570)
0

>  <Number_of_rings> (BBL000570)
2

>  <NAME> (BBL000570)
4-amino-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol

>  <Mol_Weight> (BBL000570)
194.22

>  <Mol_Formula> (BBL000570)
C6H6N6S

>  <Smiles> (BBL000570)
Nn1c(S)nnc1c1cnccn1

>  <CAS_Number> (BBL000570)
124991-69-1

>  <Alternative_identifier> (BBL000570)
MFCD02258410

$$$$