-ISIS-  08091621332D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0583   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.2833    0.0000 N   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  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <ID> (BBL000481)
BBL000481

>  <SALTDATA> (BBL000481)
HCI

>  <Rotatable_Bonds> (BBL000481)
1

>  <logP> (BBL000481)
-1.629

>  <PSA> (BBL000481)
84.66

>  <H_Donors> (BBL000481)
3

>  <H_Acceptors> (BBL000481)
1

>  <Number_of_rings> (BBL000481)
1

>  <NAME> (BBL000481)
1H-1,2,4-triazole-3-carboxamide

>  <Mol_Weight> (BBL000481)
112.09

>  <Mol_Formula> (BBL000481)
C3H4N4O

>  <Smiles> (BBL000481)
NC(=O)c1n[nH]cn1

>  <CAS_Number> (BBL000481)
05.08.3641

>  <Alternative_identifier> (BBL000481)
MFCD03990481

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