
 CHEMBL307307

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.9549   -0.1830    0.0614 C   0  0  0  0  0
    2.4266   -0.0896   -0.0391 C   0  0  0  0  0
    3.0886    1.0504   -0.1308 N   0  0  0  0  0
    4.4275    0.7711   -0.2041 N   0  0  0  0  0
    4.5604   -0.5362   -0.1615 C   0  0  0  0  0
    3.3305   -1.1341   -0.0517 N   0  0  0  0  0
    3.2213   -2.5347    0.0222 C   0  0  0  0  0
    2.0099   -3.2222    0.1306 C   0  0  0  0  0
    2.0148   -4.6179    0.1977 C   0  0  0  0  0
    3.2171   -5.3208    0.1575 C   0  0  0  0  0
    4.4234   -4.6290    0.0493 C   0  0  0  0  0
    4.4434   -3.2338   -0.0198 C   0  0  0  0  0
    5.7012   -2.6058   -0.1311 N   0  0  0  0  0
    5.7941   -1.2984   -0.2066 C   0  0  0  0  0
    7.0561   -0.7386   -0.3217 N   0  0  0  0  0
    7.3338    0.6782   -0.5135 C   0  0  0  0  0
    8.8199    0.7217   -0.8603 C   0  0  0  0  0
    9.3814   -0.4740   -0.1120 C   0  0  0  0  0
    8.2840   -1.5203   -0.2739 C   0  0  0  0  0
    0.5112    0.8184    0.0472 H   0  0  0  0  0
    0.6528   -0.6566    0.9998 H   0  0  0  0  0
    0.5360   -0.7339   -0.7854 H   0  0  0  0  0
    1.0486   -2.7281    0.1654 H   0  0  0  0  0
    1.0758   -5.1610    0.2816 H   0  0  0  0  0
    3.2181   -6.4066    0.2097 H   0  0  0  0  0
    5.3616   -5.1776    0.0173 H   0  0  0  0  0
    7.1391    1.2275    0.4140 H   0  0  0  0  0
    6.7459    1.1139   -1.3274 H   0  0  0  0  0
    8.9583    0.5850   -1.9398 H   0  0  0  0  0
    9.2901    1.6660   -0.5720 H   0  0  0  0  0
   10.3440   -0.8111   -0.5060 H   0  0  0  0  0
    9.5112   -0.2242    0.9481 H   0  0  0  0  0
    8.4099   -2.0728   -1.2116 H   0  0  0  0  0
    8.2976   -2.2267    0.5625 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  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5 14  1  0  0  0
  5  6  1  0  0  0
  6  7  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
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
 18 19  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
 19 33  1  0  0  0
 19 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL307307

>  <PubChem CID>
2996934

>  <Formula>
C14H15N5

>  <Molecular Weight>
253.309000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NN=C2N1C3=CC=CC=C3N=C2N4CCCC4

>  <Isomeric SMILES>
CC1=NN=C2N1C3=CC=CC=C3N=C2N4CCCC4

>  <InChI Std. ID>
InChI=1S/C14H15N5/c1-10-16-17-14-13(18-8-4-5-9-18)15-11-6-2-3-7-12(11)19(10)14/h2-3,6-7H,4-5,8-9H2,1H3

>  <InChI Key>
ABSOKPVCKVXBCK-UHFFFAOYSA-N

