
 CHEMBL544354

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.0506    0.0802    0.2753 C   0  0  0  0  0
    2.5233    0.1618    0.1582 C   0  0  0  0  0
    3.3197    1.2863    0.0695 C   0  0  0  0  0
    4.6000    0.8152   -0.0236 N   0  0  0  0  0
    5.8078    1.4682   -0.1189 C   0  0  0  0  0
    6.9169    0.7187   -0.1882 C   0  0  0  0  0
    6.9208   -0.6611   -0.1749 N   0  0  0  0  0
    5.7829   -1.3350   -0.0927 C   0  0  0  0  0
    4.5373   -0.5556   -0.0024 C   0  0  0  0  0
    3.2937   -0.9797    0.1253 N   0  0  0  0  0
    5.8572   -2.7392   -0.0962 N   0  0  0  0  0
    4.6625   -3.5504    0.2003 C   0  0  0  0  0
    4.8479   -5.0410   -0.1550 C   0  0  0  0  0
    6.0796   -5.6416    0.3839 N   0  0  0  0  0
    7.2153   -4.8498   -0.1175 C   0  0  0  0  0
    7.1427   -3.3629    0.2757 C   0  0  0  0  0
    0.7163   -0.9615    0.2967 H   0  0  0  0  0
    0.5711    0.5739   -0.5755 H   0  0  0  0  0
    0.7123    0.5663    1.1954 H   0  0  0  0  0
    3.0890    2.3416    0.0662 H   0  0  0  0  0
    5.8105    2.5490   -0.1309 H   0  0  0  0  0
    7.8937    1.1895   -0.2634 H   0  0  0  0  0
    3.8077   -3.2081   -0.3899 H   0  0  0  0  0
    4.4167   -3.4529    1.2646 H   0  0  0  0  0
    3.9881   -5.6073    0.2210 H   0  0  0  0  0
    4.8422   -5.1605   -1.2462 H   0  0  0  0  0
    6.0559   -5.5600    1.4005 H   0  0  0  0  0
    8.1430   -5.2804    0.2761 H   0  0  0  0  0
    7.2673   -4.9432   -1.2096 H   0  0  0  0  0
    7.2845   -3.2614    1.3591 H   0  0  0  0  0
    7.9806   -2.8572   -0.2182 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 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL544354

>  <PubChem CID>
11820657

>  <Formula>
C11H15N5

>  <Molecular Weight>
217.276000

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

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN2C=CN=C(C2=N1)N3CCNCC3

>  <Isomeric SMILES>
CC1=CN2C=CN=C(C2=N1)N3CCNCC3

>  <InChI Std. ID>
InChI=1S/C11H15N5/c1-9-8-16-7-4-13-10(11(16)14-9)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3

>  <InChI Key>
BUDCOWQNZZXQDZ-UHFFFAOYSA-N

