
 CHEMBL303883

 37 40  0  0  0  0  0  0  0  0999 V2000
    2.1137   -1.1972    0.2248 C   0  0  0  0  0
    3.5381   -0.6626    0.1306 C   0  0  0  0  0
    3.5872    0.8220    0.0276 C   0  0  0  0  0
    2.5201    1.6038   -0.0032 N   0  0  0  0  0
    2.9319    2.9054   -0.0356 N   0  0  0  0  0
    4.2459    2.9051   -0.0368 C   0  0  0  0  0
    4.7196    1.6177   -0.0230 N   0  0  0  0  0
    6.1054    1.3713   -0.0562 C   0  0  0  0  0
    6.6751    0.0957   -0.0782 C   0  0  0  0  0
    8.0670   -0.0357   -0.1348 C   0  0  0  0  0
    8.8805    1.0943   -0.1575 C   0  0  0  0  0
    8.3074    2.3651   -0.1269 C   0  0  0  0  0
    6.9192    2.5223   -0.0827 C   0  0  0  0  0
    6.4149    3.8406   -0.0732 N   0  0  0  0  0
    5.1225    4.0620   -0.0525 C   0  0  0  0  0
    4.6730    5.3753   -0.0428 N   0  0  0  0  0
    5.5603    6.5273   -0.0465 C   0  0  0  0  0
    4.6551    7.7016    0.3184 C   0  0  0  0  0
    3.3076    7.2820   -0.2388 C   0  0  0  0  0
    3.2757    5.7812    0.0308 C   0  0  0  0  0
    2.1188   -2.2902    0.2729 H   0  0  0  0  0
    1.5171   -0.9001   -0.6460 H   0  0  0  0  0
    1.6069   -0.8220    1.1219 H   0  0  0  0  0
    4.0126   -1.1119   -0.7472 H   0  0  0  0  0
    4.0812   -0.9838    1.0272 H   0  0  0  0  0
    6.0926   -0.8145   -0.0626 H   0  0  0  0  0
    8.5173   -1.0249   -0.1645 H   0  0  0  0  0
    9.9619    0.9890   -0.2022 H   0  0  0  0  0
    8.9431    3.2472   -0.1420 H   0  0  0  0  0
    5.9858    6.6662   -1.0475 H   0  0  0  0  0
    6.3771    6.4347    0.6773 H   0  0  0  0  0
    4.5924    7.8043    1.4088 H   0  0  0  0  0
    5.0081    8.6502   -0.0953 H   0  0  0  0  0
    2.4688    7.8073    0.2258 H   0  0  0  0  0
    3.2737    7.4685   -1.3191 H   0  0  0  0  0
    2.8809    5.5770    1.0329 H   0  0  0  0  0
    2.6503    5.2852   -0.7168 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 20  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 18 33  1  0  0  0
 19 20  1  0  0  0
 19 34  1  0  0  0
 19 35  1  0  0  0
 20 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL303883

>  <PubChem CID>
14783686

>  <Formula>
C15H17N5

>  <Molecular Weight>
267.336000

>  <IUPAC Name>
1-ethyl-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline

>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=NN=C2N1C3=CC=CC=C3N=C2N4CCCC4

>  <Isomeric SMILES>
CCC1=NN=C2N1C3=CC=CC=C3N=C2N4CCCC4

>  <InChI Std. ID>
InChI=1S/C15H17N5/c1-2-13-17-18-15-14(19-9-5-6-10-19)16-11-7-3-4-8-12(11)20(13)15/h3-4,7-8H,2,5-6,9-10H2,1H3

>  <InChI Key>
APJHYJWRJHOAHR-UHFFFAOYSA-N

