
 CHEMBL545293

 39 40  0  0  0  0  0  0  0  0999 V2000
    1.0931   -0.1567   -1.0701 C   0  0  0  0  0
    2.6081    0.0165   -1.1262 C   0  0  0  0  0
    3.1139    0.8256    0.0750 C   0  0  0  0  0
    4.6017    1.0383    0.0120 C   0  0  0  0  0
    5.2353    2.2555   -0.1535 C   0  0  0  0  0
    6.5729    2.0578   -0.1589 N   0  0  0  0  0
    6.7317    0.7266    0.0020 C   0  0  0  0  0
    5.5516    0.0912    0.1212 N   0  0  0  0  0
    5.4559   -1.2448    0.3343 C   0  0  0  0  0
    6.6408   -1.9790    0.4372 C   0  0  0  0  0
    7.8437   -1.3421    0.3201 N   0  0  0  0  0
    7.9434    0.0038    0.0895 C   0  0  0  0  0
    9.2497    0.6058   -0.0244 N   0  0  0  0  0
   10.4242   -0.0844    0.4932 C   0  0  0  0  0
   11.4226   -0.2966   -0.6496 C   0  0  0  0  0
   11.7415    0.9838   -1.3001 N   0  0  0  0  0
   10.5239    1.6187   -1.8286 C   0  0  0  0  0
    9.5031    1.8696   -0.7076 C   0  0  0  0  0
   -1.9859    3.3243   -0.1963 Cl  0  0  0  0  0
    0.7519   -0.7381   -1.9524 H   0  0  0  0  0
    0.5899    0.8337   -1.0817 H   0  0  0  0  0
    0.8015   -0.7037   -0.1482 H   0  0  0  0  0
    2.8722    0.5489   -2.0663 H   0  0  0  0  0
    3.0757   -0.9878   -1.1523 H   0  0  0  0  0
    2.8569    0.3214    1.0314 H   0  0  0  0  0
    2.6104    1.8173    0.0573 H   0  0  0  0  0
    4.7609    3.2212   -0.2638 H   0  0  0  0  0
    4.4978   -1.7338    0.4414 H   0  0  0  0  0
    6.6082   -3.0450    0.6154 H   0  0  0  0  0
   10.1818   -1.0579    0.9677 H   0  0  0  0  0
   10.8976    0.5535    1.2714 H   0  0  0  0  0
   12.3532   -0.7553   -0.2511 H   0  0  0  0  0
   10.9893   -0.9968   -1.3975 H   0  0  0  0  0
   12.2003    1.6257   -0.6108 H   0  0  0  0  0
   10.7862    2.5802   -2.3200 H   0  0  0  0  0
   10.0711    0.9568   -2.6004 H   0  0  0  0  0
    9.9231    2.5994    0.0180 H   0  0  0  0  0
    8.6167    2.3123   -1.1853 H   0  0  0  0  0
   -1.0304    4.2329   -0.5884 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL545293

>  <PubChem CID>
45261795

>  <Formula>
C13H20ClN5

>  <Molecular Weight>
281.788000

>  <IUPAC Name>
8-piperazin-1-yl-3-propylimidazo[1,2-a]pyrazine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCC1=CN=C2N1C=CN=C2N3CCNCC3.Cl

>  <Isomeric SMILES>
CCCC1=CN=C2N1C=CN=C2N3CCNCC3.Cl

>  <InChI Std. ID>
InChI=1S/C13H19N5.ClH/c1-2-3-11-10-16-13-12(15-6-9-18(11)13)17-7-4-14-5-8-17;/h6,9-10,14H,2-5,7-8H2,1H3;1H

>  <InChI Key>
BCDJOCPOMXIKTE-UHFFFAOYSA-N

