
 AGN-192172

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.1955   -0.8296   -0.2784 C   0  0  0  0  0
    2.6845   -0.7908   -0.0204 C   0  0  0  0  0
    3.3145    0.4369    0.3133 C   0  0  0  0  0
    4.7013    0.4440    0.5155 C   0  0  0  0  0
    5.4535   -0.7273    0.4425 C   0  0  0  0  0
    4.8393   -1.9512    0.1830 C   0  0  0  0  0
    3.4481   -1.9857   -0.0930 C   0  0  0  0  0
    2.7706   -3.2193   -0.3416 N   0  0  0  0  0
    3.6869   -4.2975   -0.7325 C   0  0  0  0  0
    4.9160   -4.3510    0.1784 C   0  0  0  0  0
    5.6764   -3.0985    0.1339 N   0  0  0  0  0
    2.5435    1.6232    0.3900 N   0  0  0  0  0
    2.9669    2.9057    0.5026 C   0  0  0  0  0
    2.3173    3.8196    1.1749 N   0  0  0  0  0
    3.1381    5.0490    0.9849 C   0  0  0  0  0
    4.0831    4.7537   -0.1819 C   0  0  0  0  0
    4.0646    3.3105   -0.1954 N   0  0  0  0  0
    0.6556   -0.8682    0.6729 H   0  0  0  0  0
    0.8980   -1.6917   -0.8830 H   0  0  0  0  0
    0.8701    0.0515   -0.8415 H   0  0  0  0  0
    5.2209    1.3604    0.7817 H   0  0  0  0  0
    6.5223   -0.6865    0.6353 H   0  0  0  0  0
    2.2775   -3.4575    0.5192 H   0  0  0  0  0
    3.1485   -5.2501   -0.6846 H   0  0  0  0  0
    3.9914   -4.1486   -1.7759 H   0  0  0  0  0
    5.5723   -5.1727   -0.1280 H   0  0  0  0  0
    4.6130   -4.5469    1.2147 H   0  0  0  0  0
    6.2287   -3.0308   -0.7208 H   0  0  0  0  0
    1.6732    1.4740    0.8882 H   0  0  0  0  0
    2.4991    5.9111    0.7718 H   0  0  0  0  0
    3.6968    5.2470    1.9067 H   0  0  0  0  0
    5.0870    5.1544   -0.0185 H   0  0  0  0  0
    3.6809    5.1481   -1.1208 H   0  0  0  0  0
    4.1660    2.8597   -1.0972 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
M  END

>  <Chemical Name>
AGN-192172

>  <PubChem CID>
9816048

>  <Formula>
C12H17N5

>  <Molecular Weight>
231.303000

>  <IUPAC Name>
N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine

>  <XlogP>
0.700

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C=CC2=C1NCCN2)NC3=NCCN3

>  <Isomeric SMILES>
CC1=C(C=CC2=C1NCCN2)NC3=NCCN3

>  <InChI Std. ID>
InChI=1S/C12H17N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-3,13-14H,4-7H2,1H3,(H2,15,16,17)

>  <InChI Key>
PGOVKWAJCVAZNG-UHFFFAOYSA-N

