
 CHEMBL127303

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.3333    0.0704    0.3701 C   0  0  0  0  0
    2.6840    0.1115   -0.1865 N   0  0  0  0  0
    3.1024   -1.2194   -0.7015 C   0  0  0  0  0
    2.4590   -1.6202   -2.0494 C   0  0  0  0  0
    2.7120   -0.5784   -3.0568 N   0  0  0  0  0
    2.1593    0.7184   -2.6202 C   0  0  0  0  0
    2.7960    1.1241   -1.2675 C   0  0  0  0  0
    3.8596   -0.5833   -3.8638 C   0  0  0  0  0
    4.0279    0.4432   -4.6842 N   0  0  0  0  0
    5.1227    0.4959   -5.5227 C   0  0  0  0  0
    6.0771   -0.4436   -5.5727 C   0  0  0  0  0
    5.9548   -1.5246   -4.7287 N   0  0  0  0  0
    4.8867   -1.6370   -3.8736 C   0  0  0  0  0
    4.9786   -2.7221   -3.1269 N   0  0  0  0  0
    6.1347   -3.3383   -3.5381 C   0  0  0  0  0
    6.7548   -2.6162   -4.5327 C   0  0  0  0  0
    1.0679    1.0450    0.7950 H   0  0  0  0  0
    1.2825   -0.6503    1.1939 H   0  0  0  0  0
    0.5679   -0.1987   -0.3644 H   0  0  0  0  0
    2.8980   -1.9924    0.0492 H   0  0  0  0  0
    4.1932   -1.1975   -0.8182 H   0  0  0  0  0
    2.7884   -2.6096   -2.3734 H   0  0  0  0  0
    1.3739   -1.7226   -1.9208 H   0  0  0  0  0
    2.3206    1.5120   -3.3577 H   0  0  0  0  0
    1.0718    0.6260   -2.5133 H   0  0  0  0  0
    3.8654    1.3140   -1.4289 H   0  0  0  0  0
    2.3721    2.0785   -0.9324 H   0  0  0  0  0
    5.1761    1.3683   -6.1691 H   0  0  0  0  0
    6.9328   -0.3968   -6.2316 H   0  0  0  0  0
    6.4624   -4.2696   -3.0936 H   0  0  0  0  0
    7.6664   -2.7771   -5.0887 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  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL127303

>  <PubChem CID>
10443343

>  <Formula>
C11H15N5

>  <Molecular Weight>
217.276000

>  <IUPAC Name>
8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC=CN3C2=NC=C3

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC=CN3C2=NC=C3

>  <InChI Std. ID>
InChI=1S/C11H15N5/c1-14-6-8-16(9-7-14)11-10-12-2-4-15(10)5-3-13-11/h2-5H,6-9H2,1H3

>  <InChI Key>
MTNWPJOZUJNKFD-UHFFFAOYSA-N

