
 CHEMBL538537

 36 37  0  0  0  0  0  0  0  0999 V2000
    1.9572   -0.1608   -1.0120 C   0  0  0  0  0
    2.9135    0.0970    0.1482 C   0  0  0  0  0
    3.2704    1.5571    0.2431 C   0  0  0  0  0
    2.3822    2.5941    0.4607 C   0  0  0  0  0
    3.0663    3.7598    0.5034 N   0  0  0  0  0
    4.3569    3.4158    0.3048 C   0  0  0  0  0
    4.5059    2.0865    0.1543 N   0  0  0  0  0
    5.7163    1.5010   -0.0311 C   0  0  0  0  0
    6.8468    2.3221   -0.0452 C   0  0  0  0  0
    6.7062    3.6707    0.1195 N   0  0  0  0  0
    5.4850    4.2674    0.2831 C   0  0  0  0  0
    5.4169    5.6988    0.4471 N   0  0  0  0  0
    6.5983    6.4472    0.8562 C   0  0  0  0  0
    6.9211    7.4949   -0.2139 C   0  0  0  0  0
    5.7506    8.3508   -0.4660 N   0  0  0  0  0
    4.5991    7.5461   -0.9032 C   0  0  0  0  0
    4.2291    6.4927    0.1539 C   0  0  0  0  0
    0.2852   -2.6457    1.8221 Cl  0  0  0  0  0
    1.7081   -1.2418   -1.0553 H   0  0  0  0  0
    2.4303    0.1356   -1.9724 H   0  0  0  0  0
    1.0150    0.4115   -0.8766 H   0  0  0  0  0
    3.8167   -0.5268    0.0003 H   0  0  0  0  0
    2.4313   -0.2176    1.0984 H   0  0  0  0  0
    1.3110    2.5115    0.5880 H   0  0  0  0  0
    5.8187    0.4319   -0.1527 H   0  0  0  0  0
    7.8307    1.8937   -0.1812 H   0  0  0  0  0
    7.4838    5.8007    1.0297 H   0  0  0  0  0
    6.3763    6.9667    1.8143 H   0  0  0  0  0
    7.7756    8.1206    0.1225 H   0  0  0  0  0
    7.2198    6.9852   -1.1564 H   0  0  0  0  0
    5.5015    8.8742    0.4063 H   0  0  0  0  0
    3.7285    8.2105   -1.0927 H   0  0  0  0  0
    4.8509    7.0367   -1.8603 H   0  0  0  0  0
    3.8927    7.0037    1.0819 H   0  0  0  0  0
    3.3886    5.9140   -0.2582 H   0  0  0  0  0
    0.9202   -3.1034    0.6912 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  7  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 24  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 25  1  0  0  0
  9 10  1  0  0  0
  9 26  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 27  1  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538537

>  <PubChem CID>
45265174

>  <Formula>
C12H18ClN5

>  <Molecular Weight>
267.761000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C12H17N5.ClH/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;1H

>  <InChI Key>
GGOHHNFWYIGOBB-UHFFFAOYSA-N

