
 CHEMBL156283

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.4635    0.8374    0.3259 C   0  0  0  0  0
    2.0949    0.0884   -0.8435 C   0  0  0  0  0
    3.4048    0.7415   -1.2868 C   0  0  0  0  0
    4.3700    0.9431   -0.2020 N   0  0  0  0  0
    4.9954   -0.3247    0.2540 C   0  0  0  0  0
    6.1253   -0.1446    1.3098 C   0  0  0  0  0
    5.8489    1.0104    2.1980 C   0  0  0  0  0
    4.7839    1.8486    1.9853 C   0  0  0  0  0
    3.7649    1.7211    0.9088 C   0  0  0  0  0
    2.4730    1.0764    1.4444 C   0  0  0  0  0
    4.8761    2.8397    2.9145 N   0  0  0  0  0
    5.9208    2.6725    3.7485 N   0  0  0  0  0
    6.5218    1.5628    3.2989 C   0  0  0  0  0
    1.0793    1.8017   -0.0253 H   0  0  0  0  0
    0.6059    0.2718    0.7099 H   0  0  0  0  0
    1.3934    0.0698   -1.6848 H   0  0  0  0  0
    2.2724   -0.9551   -0.5607 H   0  0  0  0  0
    3.1784    1.7208   -1.7314 H   0  0  0  0  0
    3.8586    0.1552   -2.0938 H   0  0  0  0  0
    5.4307   -0.8493   -0.6064 H   0  0  0  0  0
    4.2376   -1.0006    0.6713 H   0  0  0  0  0
    7.0810    0.0229    0.7954 H   0  0  0  0  0
    6.2209   -1.0653    1.9008 H   0  0  0  0  0
    3.5303    2.7257    0.5332 H   0  0  0  0  0
    2.6897    0.1223    1.9456 H   0  0  0  0  0
    2.0194    1.7199    2.2105 H   0  0  0  0  0
    4.2821    3.6521    3.0402 H   0  0  0  0  0
    7.4252    1.2207    3.7858 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  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 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 13  1  0  0  0
  7  8  2  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 13  2  0  0  0
 13 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL156283

>  <PubChem CID>
14004033

>  <Formula>
C10H15N3

>  <Molecular Weight>
177.251000

>  <IUPAC Name>
1,4,5,7,8,9,10,10a-octahydropyrazolo[3,4-a]quinolizine

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN2CCC3=C(C2C1)NN=C3

>  <Isomeric SMILES>
C1CCN2CCC3=C(C2C1)NN=C3

>  <InChI Std. ID>
InChI=1S/C10H15N3/c1-2-5-13-6-4-8-7-11-12-10(8)9(13)3-1/h7,9H,1-6H2,(H,11,12)

>  <InChI Key>
FIWQPBGSTABWLI-UHFFFAOYSA-N

