
 CHEMBL545289

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.1226    0.1692   -0.0841 C   0  0  0  0  0
    2.6120   -0.0096   -0.0165 C   0  0  0  0  0
    3.1710   -1.2207    0.1438 C   0  0  0  0  0
    4.5444   -1.2993    0.2042 N   0  0  0  0  0
    5.3838   -2.3659    0.3710 C   0  0  0  0  0
    6.6501   -1.8260    0.3790 C   0  0  0  0  0
    6.6068   -0.4630    0.2212 N   0  0  0  0  0
    5.3235   -0.1748    0.1010 C   0  0  0  0  0
    4.6763    1.1306   -0.0884 C   0  0  0  0  0
    3.3535    1.1553   -0.1315 N   0  0  0  0  0
    5.3540    2.3548   -0.2242 N   0  0  0  0  0
    6.8072    2.4349    0.0108 C   0  0  0  0  0
    7.4214    3.7607   -0.4860 C   0  0  0  0  0
    6.7134    4.9656   -0.0212 N   0  0  0  0  0
    5.3120    4.8536   -0.4604 C   0  0  0  0  0
    4.6051    3.5935    0.0705 C   0  0  0  0  0
    0.7832    0.8269    0.7228 H   0  0  0  0  0
    0.5894   -0.7825    0.0123 H   0  0  0  0  0
    0.8374    0.6186   -1.0409 H   0  0  0  0  0
    2.6089   -2.1403    0.2346 H   0  0  0  0  0
    5.0239   -3.3794    0.4710 H   0  0  0  0  0
    7.5920   -2.3480    0.4927 H   0  0  0  0  0
    7.3289    1.6425   -0.5328 H   0  0  0  0  0
    7.0050    2.3156    1.0828 H   0  0  0  0  0
    8.4644    3.8175   -0.1542 H   0  0  0  0  0
    7.4463    3.7644   -1.5832 H   0  0  0  0  0
    6.7301    4.9717    0.9990 H   0  0  0  0  0
    4.7672    5.7412   -0.1202 H   0  0  0  0  0
    5.2751    4.8666   -1.5570 H   0  0  0  0  0
    4.4724    3.6757    1.1565 H   0  0  0  0  0
    3.6086    3.5661   -0.3854 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL545289

>  <PubChem CID>
10465942

>  <Formula>
C11H15N5

>  <Molecular Weight>
217.276000

>  <IUPAC Name>
6-methyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN2C=CN=C2C(=N1)N3CCNCC3

>  <Isomeric SMILES>
CC1=CN2C=CN=C2C(=N1)N3CCNCC3

>  <InChI Std. ID>
InChI=1S/C11H15N5/c1-9-8-16-7-4-13-10(16)11(14-9)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3

>  <InChI Key>
IRBSSAXKBQBWNC-UHFFFAOYSA-N

