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Products Information

5-amino-1H-1,2,4-triazole-1-carboxamide
5-amino-1H-1,2,4-triazole-1-carboxamide
ID: BP-12026
Supplier:BroadPharm

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SMILES:n1(c(ncn1)N)C(=O)N	
FORMULA: C3H5N5O
MASS: 127.1047
EXACT MASS: 127.0494098
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6035     0.0000 
   N   3    0.9723     0.5988     0.0000 
   C   4    0.5945     1.0685     1.5488     0.0000 
   N   5    0.6019     0.9727     0.9700     1.0667     0.0000 
   C   6    0.9748     0.9727     0.6000     1.5511     0.6010     0.0000 
   O   7    1.0332     1.6038     1.9945     0.5968     1.2510     1.8352 
   N   8    0.9915     0.6010     1.1318     1.1712     1.5124     1.5733 
   N   9    1.1182     1.4006     1.9698     0.6044     1.6576     2.0921 

              O   7      N   8      N   9
              ---------------------------------
   O   7    0.0000 
   N   8    1.7679     0.0000 
   N   9    0.9334     1.2204     0.0000 



ATOMIC CHARGES
   N   1   -0.1443929555
   C   2    0.2628994580
   N   3   -0.1872245486
   C   4    0.3772181301
   N   5   -0.1361517228
   C   6    0.2225681489
   O   7   -0.2440123906
   N   8   -0.0858328868
   N   9   -0.0650712327


BOND ANGLES
   2    1    4  Car  Nar   C2    126.234
   2    1    5  Car  Nar  Nar    107.605
   4    1    5   C2  Nar  Nar    126.161
   1    2    3  Nar  Car  Nar    107.944
   1    2    8  Nar  Car  Npl    110.809
   3    2    8  Nar  Car  Npl    141.247
   2    3    6  Car  Nar  Car    108.469
   1    4    7  Nar   C2   O2    120.298
   1    4    9  Nar   C2  Nam    137.717
   7    4    9   O2   C2  Nam    101.985
   1    5    6  Nar  Nar  Car    108.260
   3    6    5  Nar  Car  Nar    107.722


TORSION ANGLES
   3    2    1    4    179.974
   3    2    1    5      0.026
   8    2    1    4      0.026
   8    2    1    5    179.974
   6    3    2    1      0.026
   6    3    2    8    179.974
   7    4    1    2    179.974
   7    4    1    5      0.026
   9    4    1    2      0.026
   9    4    1    5    179.974
   6    5    1    2      0.026
   6    5    1    4    179.974
   3    6    5    1      0.026
   2    3    6    5      0.026