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(7-amino-3-((tetrahydrofuran-2-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)methanol
(7-amino-3-((tetrahydrofuran-2-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)methanol
ID: BP-11910
Supplier:BroadPharm

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SMILES:c12n(nnc1c(nc(n2)CO)N)CC1OCCC1	
FORMULA: C10H14N6O2
MASS: 250.2572
EXACT MASS: 250.1178237
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      N   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6008     0.0000 
   C   3    0.6000     0.9726     0.0000 
   N   4    0.9724     0.6026     0.9724     0.0000 
   N   5    0.9726     0.9750     0.6008     0.6026     0.0000 
   N   6    0.5975     1.0933     1.0378     1.5616     1.5380     0.0000 
   C   7    1.0378     1.5380     0.5975     1.5616     1.0933     1.2000 
   N   8    1.1985     1.7907     1.0375     1.9853     1.6192     1.0398 
   C   9    1.0375     1.6192     1.1985     1.9853     1.7907     0.6010 
   C  10    1.0580     0.6004     1.5490     1.0844     1.5622     1.3304 
   N  11    1.5865     2.0076     1.0378     1.8758     1.3001     1.8000 
   O  12    1.3566     1.3754     1.9533     1.9772     2.2585     1.1015 
   C  13    1.3532     1.1049     1.9316     1.6591     2.0756     1.3644 
   C  14    1.5829     2.1280     1.7960     2.5508     2.3871     1.0375 
   O  15    2.0750     2.6524     2.1600     3.0150     2.7605     1.5869 
   C  16    1.9552     1.9472     2.5500     2.5432     2.8542     1.6487 
   C  17    1.9522     1.6488     2.5241     2.1484     2.6227     1.9394 
   C  18    2.2446     2.0748     2.8422     2.6282     3.0405     2.0707 

              C   7      N   8      C   9      C  10      N  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    0.6010     0.0000 
   C   9    1.0398     0.6000     0.0000 
   C  10    2.0808     2.2336     1.9259     0.0000 
   N  11    0.6000     1.0398     1.5878     2.5865     0.0000 
   O  12    2.2723     2.1301     1.6007     1.0703     2.8667     0.0000 
   C  13    2.3794     2.3871     1.9489     0.5975     2.9396     0.6032 
   C  14    1.5863     1.0378     0.5975     2.3306     2.0776     1.7342 
   O  15    1.7995     1.1985     1.0375     2.9071     2.1629     2.3318 
   C  16    2.8422     2.6408     2.0722     1.5503     3.4407     0.5998 
   C  17    2.9801     2.9731     2.5058     1.0683     3.5385     0.9726 
   C  18    3.2199     3.1019     2.5655     1.5509     3.8063     0.9718 

              C  13      C  14      O  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.2138     0.0000 
   O  15    2.8139     0.6010     0.0000 
   C  16    0.9707     2.0644     2.6302     0.0000 
   C  17    0.6007     2.7022     3.3016     0.9677     0.0000 
   C  18    0.9717     2.6274     3.2059     0.5975     0.5989     0.0000 




ATOMIC CHARGES
   C   1    0.1846010691
   N   2   -0.2122200105
   C   3    0.1744089905
   N   4   -0.0623506988
   N   5   -0.1241713650
   N   6   -0.2077645409
   C   7    0.1934352757
   N   8   -0.2084065768
   C   9    0.1756197198
   C  10    0.1601921014
   N  11   -0.1053676599
   O  12   -0.3542007695
   C  13    0.1397064687
   C  14    0.2470994756
   O  15   -0.2116408270
   C  16    0.1422182346
   C  17    0.0342114711
   C  18    0.0346296419


BOND ANGLES
   2    1    3  Nar  Car  Car    108.185
   2    1    6  Nar  Car  Nar    131.676
   3    1    6  Car  Car  Nar    120.140
   1    2    4  Car  Nar  Nar    107.816
   1    2   10  Car  Nar   C3    123.482
   4    2   10  Nar  Nar   C3    128.701
   1    3    5  Car  Car  Nar    108.185
   1    3    7  Car  Car  Car    120.140
   5    3    7  Nar  Car  Car    131.676
   2    4    5  Nar  Nar  Nar    107.998
   3    5    4  Car  Nar  Nar    107.816
   1    6    9  Car  Nar  Car    119.917
   3    7    8  Car  Car  Nar    119.917
   3    7   11  Car  Car  Npl    120.140
   8    7   11  Nar  Car  Npl    119.944
   7    8    9  Car  Nar  Car    119.944
   6    9   14  Nar  Car   C3    119.917
   6    9    8  Nar  Car  Nar    119.944
   8    9   14  Nar  Car   C3    120.140
   2   10   13  Nar   C3   C3    134.562
  13   12   16   C3   O3   C3    107.575
  10   13   12   C3   C3   O3    126.087
  12   13   17   O3   C3   C3    107.768
  10   13   17   C3   C3   C3    126.146
   9   14   15  Car   C3   O3    119.917
  12   16   18   O3   C3   C3    108.511
  13   17   18   C3   C3   C3    108.186
  16   18   17   C3   C3   C3    107.960


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    6    179.974
  10    2    1    3    179.974
  10    2    1    6      0.026
   5    3    1    2      0.026
   5    3    1    6    179.974
   7    3    1    2    179.974
   7    3    1    6      0.026
   5    4    2    1      0.026
   5    4    2   10    179.974
   4    5    3    1      0.026
   4    5    3    7    179.974
   9    6    1    2    179.974
   9    6    1    3      0.026
   8    7    3    1      0.026
   8    7    3    5    179.974
  11    7    3    1    179.974
  11    7    3    5      0.026
   9    8    7    3      0.026
   9    8    7   11    179.974
  14    9    6    1    179.974
   8    9    6    1      0.026
  13   10    2    1      0.026
  13   10    2    4    179.974
  16   12   13   10    179.974
  16   12   13   17      0.026
  12   13   10    2      0.026
  17   13   10    2    179.974
  15   14    9    6    179.974
  15   14    9    8      0.026
  18   16   12   13      0.026
  18   17   13   12      0.026
  18   17   13   10    179.974
  16   18   17   13      0.026
   3    5    4    2      0.026
   6    9    8    7      0.026
  14    9    8    7    179.974
  17   18   16   12      0.026


CHIRAL ATOMS
  17   18   16   12      0.026