-ISIS-  08091621332D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.3583   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
>  <ID> (BBL000197)
BBL000197

>  <Rotatable_Bonds> (BBL000197)
4

>  <logP> (BBL000197)
-1.179

>  <PSA> (BBL000197)
116.17

>  <H_Donors> (BBL000197)
3

>  <H_Acceptors> (BBL000197)
4

>  <Number_of_rings> (BBL000197)
1

>  <NAME> (BBL000197)
1H-1,2,3-triazole-4,5-dicarboxylic acid

>  <Mol_Weight> (BBL000197)
157.09

>  <Mol_Formula> (BBL000197)
C4H3N3O4

>  <Smiles> (BBL000197)
OC(=O)c1[nH]nnc1C(=O)O

>  <CAS_Number> (BBL000197)
4546-95-6

>  <Alternative_identifier> (BBL000197)
MFCD00005246

$$$$