
 CHEMBL555391

 39 40  0  0  0  0  0  0  0  0999 V2000
    2.6286   -0.8521    1.3434 C   0  0  0  0  0
    3.6777   -0.4391    0.3054 C   0  0  0  0  0
    3.4468   -1.1709   -1.0201 C   0  0  0  0  0
    3.6411    1.0582    0.0879 C   0  0  0  0  0
    2.5577    1.7863   -0.3690 C   0  0  0  0  0
    2.9021    3.0910   -0.4389 N   0  0  0  0  0
    4.1846    3.1437   -0.0232 C   0  0  0  0  0
    4.6540    1.9209    0.2972 N   0  0  0  0  0
    5.9223    1.7100    0.7304 C   0  0  0  0  0
    6.7681    2.8126    0.8399 C   0  0  0  0  0
    6.3047    4.0542    0.5175 N   0  0  0  0  0
    5.0249    4.2839    0.0853 C   0  0  0  0  0
    4.6314    5.6446   -0.2311 N   0  0  0  0  0
    5.6300    6.7085   -0.2367 C   0  0  0  0  0
    5.6473    7.3498   -1.6307 C   0  0  0  0  0
    4.3045    7.8226   -2.0041 N   0  0  0  0  0
    3.3259    6.7229   -1.9741 C   0  0  0  0  0
    3.2812    6.0739   -0.5845 C   0  0  0  0  0
   -0.0959   -2.2804   -2.4011 Cl  0  0  0  0  0
    2.8235   -0.3356    2.3077 H   0  0  0  0  0
    2.6750   -1.9479    1.5199 H   0  0  0  0  0
    1.6041   -0.5933    0.9992 H   0  0  0  0  0
    4.6700   -0.7485    0.6894 H   0  0  0  0  0
    2.4542   -0.9147   -1.4471 H   0  0  0  0  0
    3.4949   -2.2698   -0.8655 H   0  0  0  0  0
    4.2338   -0.8875   -1.7515 H   0  0  0  0  0
    1.5831    1.3993   -0.6351 H   0  0  0  0  0
    6.2828    0.7228    0.9812 H   0  0  0  0  0
    7.7881    2.6865    1.1772 H   0  0  0  0  0
    6.6534    6.3583    0.0081 H   0  0  0  0  0
    5.3501    7.4753    0.5186 H   0  0  0  0  0
    6.3594    8.2028   -1.6419 H   0  0  0  0  0
    5.9971    6.6033   -2.3778 H   0  0  0  0  0
    4.0033    8.5752   -1.3405 H   0  0  0  0  0
    2.3199    7.1158   -2.2359 H   0  0  0  0  0
    3.6018    5.9574   -2.7328 H   0  0  0  0  0
    2.9441    6.8321    0.1560 H   0  0  0  0  0
    2.5151    5.2967   -0.5789 H   0  0  0  0  0
    0.1211   -1.0481   -2.9730 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL555391

>  <PubChem CID>
45261850

>  <Formula>
C13H20ClN5

>  <Molecular Weight>
281.788000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)C1=CN=C2N1C=CN=C2N3CCNCC3.Cl

>  <Isomeric SMILES>
CC(C)C1=CN=C2N1C=CN=C2N3CCNCC3.Cl

>  <InChI Std. ID>
InChI=1S/C13H19N5.ClH/c1-10(2)11-9-16-13-12(15-5-8-18(11)13)17-6-3-14-4-7-17;/h5,8-10,14H,3-4,6-7H2,1-2H3;1H

>  <InChI Key>
FAQXHZLDLNHSNO-UHFFFAOYSA-N

