
 64022-27-1

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.4493    1.3031   -0.2754 C   0  0  0  0  0
   -0.8831    1.1828    0.5022 C   0  0  0  0  0
   -1.6060   -0.0685    0.1749 N   0  0  0  0  0
   -0.7414   -1.2645    0.2925 C   0  0  0  0  0
    0.5793   -1.0894   -0.4935 C   0  0  0  0  0
    1.3322    0.1239   -0.1123 N   0  0  0  0  0
   -2.3892   -0.0068   -0.9903 C   0  0  0  0  0
   -3.2552   -1.0574   -1.3407 C   0  0  0  0  0
   -4.0478   -1.0699   -2.4456 N   0  0  0  0  0
   -3.9673    0.0446   -3.2041 C   0  0  0  0  0
   -3.1423    1.1002   -2.8641 C   0  0  0  0  0
   -2.3537    1.0996   -1.7673 N   0  0  0  0  0
   -3.0496    2.5153   -3.8238 Cl  0  0  0  0  0
    0.2635    1.4588   -1.3443 H   0  0  0  0  0
    0.9896    2.1880    0.0781 H   0  0  0  0  0
   -1.5071    2.0714    0.3498 H   0  0  0  0  0
   -0.6588    1.1621    1.5764 H   0  0  0  0  0
   -0.5060   -1.4042    1.3557 H   0  0  0  0  0
   -1.2439   -2.1841   -0.0255 H   0  0  0  0  0
    1.2184   -1.9612   -0.3167 H   0  0  0  0  0
    0.3764   -1.0612   -1.5709 H   0  0  0  0  0
    1.5779    0.0512    0.8753 H   0  0  0  0  0
   -3.3555   -1.9328   -0.7084 H   0  0  0  0  0
   -4.5900    0.0647   -4.0904 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
M  END

>  <Chemical Name>
64022-27-1

>  <PubChem CID>
107992

>  <Formula>
C8H11ClN4

>  <Molecular Weight>
198.654000

>  <IUPAC Name>
2-chloro-6-piperazin-1-ylpyrazine

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1)C2=CN=CC(=N2)Cl

>  <Isomeric SMILES>
C1CN(CCN1)C2=CN=CC(=N2)Cl

>  <InChI Std. ID>
InChI=1S/C8H11ClN4/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2

>  <InChI Key>
CJAWPFJGFFNXQI-UHFFFAOYSA-N

