
 CHEMBL520159

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.8603    0.7319    2.2840 C   0  0  0  0  0
    0.2404   -0.5833    1.8516 C   0  0  0  0  0
    0.9560   -0.8771    0.5440 C   0  0  0  0  0
    1.0260    0.4867   -0.1572 C   0  0  0  0  0
    1.0379    1.5191    0.9891 C   0  0  0  0  0
    2.2304    0.6220   -1.1117 C   0  0  0  0  0
    2.2710    2.0494   -1.8149 C   0  0  0  0  0
    2.0223    1.7193   -3.2254 C   0  0  0  0  0
    1.9959    0.3769   -3.4417 C   0  0  0  0  0
    2.2114   -0.4687   -2.2645 C   0  0  0  0  0
    1.7659    0.1780   -4.7541 N   0  0  0  0  0
    1.6386    1.3499   -5.4223 N   0  0  0  0  0
    1.7977    2.3039   -4.4765 C   0  0  0  0  0
    1.7434    3.7503   -4.7277 C   0  0  0  0  0
    1.8878    4.7132   -3.7970 N   0  0  0  0  0
    1.7487    5.7984   -4.5731 N   0  0  0  0  0
    1.5379    5.5751   -5.8743 N   0  0  0  0  0
    1.5317    4.2531   -5.9884 N   0  0  0  0  0
    0.2443    1.2654    3.0135 H   0  0  0  0  0
    1.8405    0.5499    2.7410 H   0  0  0  0  0
   -0.8355   -0.4612    1.6805 H   0  0  0  0  0
    0.3848   -1.3750    2.5921 H   0  0  0  0  0
    1.9608   -1.2672    0.7465 H   0  0  0  0  0
    0.4162   -1.6219   -0.0487 H   0  0  0  0  0
    0.1003    0.6281   -0.7325 H   0  0  0  0  0
    1.9566    2.1139    1.0265 H   0  0  0  0  0
    0.2032    2.2183    0.8582 H   0  0  0  0  0
    3.1492    0.4955   -0.5227 H   0  0  0  0  0
    3.2629    2.4967   -1.6904 H   0  0  0  0  0
    1.5163    2.7341   -1.4187 H   0  0  0  0  0
    1.4181   -1.2094   -2.1413 H   0  0  0  0  0
    3.1795   -0.9769   -2.3173 H   0  0  0  0  0
    1.6814   -0.6904   -5.2750 H   0  0  0  0  0
    1.7994    6.7414   -4.1986 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 25  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL520159

>  <PubChem CID>
11299550

>  <Formula>
C12H16N6

>  <Molecular Weight>
244.302000

>  <IUPAC Name>
5-cyclopentyl-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C1)C2CC3=C(C2)NN=C3C4=NNN=N4

>  <Isomeric SMILES>
C1CCC(C1)C2CC3=C(C2)NN=C3C4=NNN=N4

>  <InChI Std. ID>
InChI=1S/C12H16N6/c1-2-4-7(3-1)8-5-9-10(6-8)13-14-11(9)12-15-17-18-16-12/h7-8H,1-6H2,(H,13,14)(H,15,16,17,18)

>  <InChI Key>
YIPHWVJKBJZSBL-UHFFFAOYSA-N

