
 CHEMBL363647

 45 48  0  0  0  0  0  0  0  0999 V2000
    6.6093    1.0138    2.5684 C   0  0  0  0  0
    6.8843    1.1017    1.2049 C   0  0  0  0  0
    7.0431   -0.0597    0.4470 C   0  0  0  0  0
    6.9333   -1.3202    1.0488 C   0  0  0  0  0
    6.6478   -1.3977    2.4185 C   0  0  0  0  0
    6.4891   -0.2353    3.1747 C   0  0  0  0  0
    7.0957   -2.5776    0.2297 C   0  0  0  0  0
    5.7485   -3.0859   -0.2894 C   0  0  0  0  0
    5.8902   -4.3047   -1.1960 C   0  0  0  0  0
    6.3362   -5.4804   -0.4833 N   0  0  0  0  0
    7.6195   -5.9659   -0.5618 C   0  0  0  0  0
    8.5257   -5.4370   -1.1938 O   0  0  0  0  0
    7.7977   -7.2521    0.2062 C   0  0  0  0  0
    8.9894   -7.8661    0.0956 C   0  0  0  0  0
    9.1675   -9.0698    0.7400 N   0  0  0  0  0
    8.1459   -9.6011    1.4793 C   0  0  0  0  0
    8.4686  -10.7736    1.9703 N   0  0  0  0  0
    9.7554  -10.9317    1.5087 C   0  0  0  0  0
   10.2212   -9.9126    0.7658 N   0  0  0  0  0
   10.5611  -12.1563    1.7995 C   0  0  0  0  0
   11.8536  -12.4023    1.3717 C   0  0  0  0  0
   12.2163  -13.6774    1.8698 C   0  0  0  0  0
   11.1264  -14.1349    2.5705 C   0  0  0  0  0
   10.1203  -13.2244    2.5350 O   0  0  0  0  0
    6.8950   -8.8883    1.5915 C   0  0  0  0  0
    6.7283   -7.7530    0.9535 N   0  0  0  0  0
    5.8520   -9.3688    2.3359 N   0  0  0  0  0
    6.4892    1.9185    3.1583 H   0  0  0  0  0
    6.9774    2.0754    0.7312 H   0  0  0  0  0
    7.2574    0.0243   -0.6159 H   0  0  0  0  0
    6.5512   -2.3660    2.9041 H   0  0  0  0  0
    6.2738   -0.3048    4.2376 H   0  0  0  0  0
    7.5856   -3.3413    0.8456 H   0  0  0  0  0
    7.7755   -2.3814   -0.6090 H   0  0  0  0  0
    5.2537   -2.2888   -0.8590 H   0  0  0  0  0
    5.0883   -3.3262    0.5537 H   0  0  0  0  0
    6.5700   -4.0893   -2.0276 H   0  0  0  0  0
    4.9132   -4.5552   -1.6228 H   0  0  0  0  0
    5.6862   -6.0099    0.0885 H   0  0  0  0  0
    9.8220   -7.4939   -0.4870 H   0  0  0  0  0
   12.4553  -11.7343    0.7702 H   0  0  0  0  0
   13.1541  -14.1973    1.7342 H   0  0  0  0  0
   10.9166  -15.0400    3.1234 H   0  0  0  0  0
    4.9423   -9.0058    2.0842 H   0  0  0  0  0
    5.8839  -10.3642    2.5379 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 26  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 25  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
 23 43  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 27 44  1  0  0  0
 27 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL363647

>  <PubChem CID>
44403165

>  <Formula>
C19H18N6O2

>  <Molecular Weight>
362.393000

>  <IUPAC Name>
8-amino-2-(furan-2-yl)-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)CCCNC(=O)C2=CN3C(=NC(=N3)C4=CC=CO4)C(=N2)N

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCCNC(=O)C2=CN3C(=NC(=N3)C4=CC=CO4)C(=N2)N

>  <InChI Std. ID>
InChI=1S/C19H18N6O2/c20-16-18-23-17(15-9-5-11-27-15)24-25(18)12-14(22-16)19(26)21-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)(H,21,26)

>  <InChI Key>
AMUVEDCWJWCWEX-UHFFFAOYSA-N

