
 CHEMBL501585

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.7205    1.0307   -0.4997 C   0  0  0  0  0
   -0.3886    0.0406   -0.2806 C   0  0  0  0  0
    1.0488   -0.4082   -0.1866 C   0  0  0  0  0
    1.6379   -0.7819    1.1585 C   0  0  0  0  0
    3.1016   -0.1901    1.3115 C   0  0  0  0  0
    3.9419   -1.3832    1.1258 C   0  0  0  0  0
    3.2098   -2.5302    1.1243 C   0  0  0  0  0
    1.7600   -2.3586    1.2986 C   0  0  0  0  0
    4.0639   -3.5588    0.9561 N   0  0  0  0  0
    5.3460   -3.1298    0.8449 N   0  0  0  0  0
    5.2695   -1.7831    0.9479 C   0  0  0  0  0
    6.4148   -0.8653    0.8830 C   0  0  0  0  0
    6.3438    0.4793    0.9547 N   0  0  0  0  0
    7.6443    0.7803    0.8345 N   0  0  0  0  0
    8.4835   -0.2528    0.7063 N   0  0  0  0  0
    7.6998   -1.3238    0.7343 N   0  0  0  0  0
    0.9004    1.3779   -1.5114 H   0  0  0  0  0
    0.8926    1.7824    0.2610 H   0  0  0  0  0
   -0.9650   -0.2716   -1.1440 H   0  0  0  0  0
   -0.9723    0.1404    0.6263 H   0  0  0  0  0
    1.4590   -0.9972   -1.0017 H   0  0  0  0  0
    0.9969   -0.3877    1.9576 H   0  0  0  0  0
    3.2347    0.2112    2.3223 H   0  0  0  0  0
    3.3178    0.5930    0.5796 H   0  0  0  0  0
    1.1713   -2.8964    0.5498 H   0  0  0  0  0
    1.4550   -2.6728    2.3028 H   0  0  0  0  0
    3.8795   -4.5563    0.9060 H   0  0  0  0  0
    7.9804    1.7395    0.8387 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL501585

>  <PubChem CID>
44591602

>  <Formula>
C10H12N6

>  <Molecular Weight>
216.248000

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

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1C2CC3=C(C2)NN=C3C4=NNN=N4

>  <Isomeric SMILES>
C1CC1C2CC3=C(C2)NN=C3C4=NNN=N4

>  <InChI Std. ID>
InChI=1S/C10H12N6/c1-2-5(1)6-3-7-8(4-6)11-12-9(7)10-13-15-16-14-10/h5-6H,1-4H2,(H,11,12)(H,13,14,15,16)

>  <InChI Key>
RLSHBELHXNJQCT-UHFFFAOYSA-N

