
 CHEMBL538537

 34 36  0  0  0  0  0  0  0  0999 V2000
    2.8618   -0.8562   -1.4189 C   0  0  0  0  0
    2.9596   -0.3388    0.0077 C   0  0  0  0  0
    3.1606    1.1354    0.0468 C   0  0  0  0  0
    2.2437    2.1665    0.1173 C   0  0  0  0  0
    2.8617    3.3897    0.1282 N   0  0  0  0  0
    4.1519    3.1181    0.0798 C   0  0  0  0  0
    4.3859    1.7649    0.0079 N   0  0  0  0  0
    5.6751    1.2846   -0.0949 C   0  0  0  0  0
    6.6770    2.1746   -0.1297 C   0  0  0  0  0
    6.5032    3.5410   -0.0656 N   0  0  0  0  0
    5.2879    4.0529    0.0503 C   0  0  0  0  0
    5.1775    5.4502    0.1310 N   0  0  0  0  0
    3.8573    6.0908    0.2631 C   0  0  0  0  0
    3.9632    7.5664    0.7016 C   0  0  0  0  0
    4.8785    8.3710   -0.1264 N   0  0  0  0  0
    6.2041    7.7276   -0.0815 C   0  0  0  0  0
    6.1948    6.2641   -0.5618 C   0  0  0  0  0
    2.7054   -1.9395   -1.4188 H   0  0  0  0  0
    3.7759   -0.6449   -1.9836 H   0  0  0  0  0
    2.0239   -0.3929   -1.9513 H   0  0  0  0  0
    3.7717   -0.8535    0.5334 H   0  0  0  0  0
    2.0369   -0.5918    0.5439 H   0  0  0  0  0
    1.1645    2.0864    0.1574 H   0  0  0  0  0
    5.8302    0.2167   -0.1489 H   0  0  0  0  0
    7.7074    1.8374   -0.2108 H   0  0  0  0  0
    3.2632    5.5851    1.0312 H   0  0  0  0  0
    3.3252    6.0278   -0.6937 H   0  0  0  0  0
    2.9675    8.0225    0.6678 H   0  0  0  0  0
    4.2919    7.6167    1.7475 H   0  0  0  0  0
    4.5425    8.3440   -1.0895 H   0  0  0  0  0
    6.8937    8.3060   -0.7067 H   0  0  0  0  0
    6.5942    7.7793    0.9429 H   0  0  0  0  0
    5.9950    6.2327   -1.6402 H   0  0  0  0  0
    7.2009    5.8611   -0.4007 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  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  7  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538537

>  <PubChem CID>
10059780

>  <Formula>
C12H17N5

>  <Molecular Weight>
231.303000

>  <IUPAC Name>
3-ethyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=CN=C2N1C=CN=C2N3CCNCC3

>  <Isomeric SMILES>
CCC1=CN=C2N1C=CN=C2N3CCNCC3

>  <InChI Std. ID>
InChI=1S/C12H17N5/c1-2-10-9-15-12-11(14-5-8-17(10)12)16-6-3-13-4-7-16/h5,8-9,13H,2-4,6-7H2,1H3

>  <InChI Key>
CDJITPLHVBYBLX-UHFFFAOYSA-N

