
 CHEMBL538788

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.4425    1.2950    0.0726 C   0  0  0  0  0
   -1.0201    1.3181    0.5280 C   0  0  0  0  0
   -1.6519    0.0580    0.1528 N   0  0  0  0  0
   -0.9962   -1.1455    0.6549 C   0  0  0  0  0
    0.4732   -1.1243    0.2051 C   0  0  0  0  0
    1.1360    0.1205    0.6240 N   0  0  0  0  0
   -2.8107    0.0582   -0.7135 C   0  0  0  0  0
   -3.1366    1.2074   -1.3867 N   0  0  0  0  0
   -4.2105    1.2930   -2.2267 C   0  0  0  0  0
   -5.0305    0.1793   -2.4143 C   0  0  0  0  0
   -4.7217   -0.9524   -1.7392 N   0  0  0  0  0
   -3.6652   -1.0544   -0.9138 C   0  0  0  0  0
   -3.5926   -2.2785   -0.3470 N   0  0  0  0  0
   -4.6426   -2.9645   -0.8564 C   0  0  0  0  0
   -5.3382   -2.1420   -1.7171 C   0  0  0  0  0
   -6.7840   -2.5618   -2.6199 Cl  0  0  0  0  0
    1.9467    0.0626   -3.4790 Cl  0  0  0  0  0
    0.4836    1.2657   -1.0382 H   0  0  0  0  0
    0.9542    2.2222    0.4086 H   0  0  0  0  0
   -1.5267    2.2078    0.1005 H   0  0  0  0  0
   -1.0540    1.4211    1.6348 H   0  0  0  0  0
   -1.0401   -1.1460    1.7658 H   0  0  0  0  0
   -1.4196   -2.0894    0.2924 H   0  0  0  0  0
    1.0101   -1.9961    0.6370 H   0  0  0  0  0
    0.5216   -1.2116   -0.9030 H   0  0  0  0  0
    1.1459    0.1772    1.6699 H   0  0  0  0  0
   -4.4234    2.2208   -2.7404 H   0  0  0  0  0
   -5.8899    0.2250   -3.0713 H   0  0  0  0  0
   -4.8812   -3.9904   -0.6099 H   0  0  0  0  0
    2.6300    0.3424   -2.3182 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3  7  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 24  1  0  0  0
  5 25  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 17 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538788

>  <PubChem CID>
12841593

>  <Formula>
C10H13Cl2N5

>  <Molecular Weight>
274.149000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1)C2=NC=CN3C2=NC=C3Cl.Cl

>  <Isomeric SMILES>
C1CN(CCN1)C2=NC=CN3C2=NC=C3Cl.Cl

>  <InChI Std. ID>
InChI=1S/C10H12ClN5.ClH/c11-8-7-14-10-9(13-3-6-16(8)10)15-4-1-12-2-5-15;/h3,6-7,12H,1-2,4-5H2;1H

>  <InChI Key>
MUMNWTDJUBAXIX-UHFFFAOYSA-N

