-ISIS-  08091621332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.3500   -0.4667    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4375   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -0.0625    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.5625   -1.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
  4  5  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <ID> (BBL000590)
BBL000590

>  <Rotatable_Bonds> (BBL000590)
2

>  <logP> (BBL000590)
1.285

>  <PSA> (BBL000590)
98.77

>  <H_Donors> (BBL000590)
2

>  <H_Acceptors> (BBL000590)
0

>  <Number_of_rings> (BBL000590)
2

>  <NAME> (BBL000590)
4-amino-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazole-3-thiol

>  <Mol_Weight> (BBL000590)
213.31

>  <Mol_Formula> (BBL000590)
C8H15N5S

>  <Smiles> (BBL000590)
Sc1nnc(n1N)CN1CCCCC1

>  <Alternative_identifier> (BBL000590)
MFCD13187435

$$$$