
 CHEMBL366905

 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.9632    0.6843   -0.1381 C   0  0  0  0  0
    0.3972    0.4738   -0.3653 C   0  0  0  0  0
    1.3619    1.2864    0.2481 C   0  0  0  0  0
    0.9200    2.2865    1.1341 C   0  0  0  0  0
   -0.4400    2.4703    1.4128 C   0  0  0  0  0
   -1.3769    1.6976    0.7259 C   0  0  0  0  0
   -0.8585    3.5614    2.1862 N   0  0  0  0  0
    2.8050    1.0560   -0.0358 C   0  0  0  0  0
    3.6469    2.1124   -0.1125 C   0  0  0  0  0
    5.0093    1.8727   -0.3801 C   0  0  0  0  0
    6.0791    2.6286   -0.4710 N   0  0  0  0  0
    7.0856    1.7141   -0.7279 C   0  0  0  0  0
    6.6847    0.4331   -0.7951 N   0  0  0  0  0
    5.3585    0.5713   -0.5866 N   0  0  0  0  0
    4.4519   -0.4975   -0.5322 C   0  0  0  0  0
    3.1988   -0.2639   -0.2473 N   0  0  0  0  0
    4.9130   -1.7680   -0.7645 N   0  0  0  0  0
    8.5095    2.1280   -0.9035 C   0  0  0  0  0
    8.9813    3.4266   -0.8411 C   0  0  0  0  0
   10.3787    3.3673   -1.0629 C   0  0  0  0  0
   10.6776    2.0386   -1.2462 C   0  0  0  0  0
    9.5559    1.2800   -1.1510 O   0  0  0  0  0
   -1.6996    0.0669   -0.6454 H   0  0  0  0  0
    0.7027   -0.3195   -1.0448 H   0  0  0  0  0
    1.6408    2.9301    1.6315 H   0  0  0  0  0
   -2.4403    1.8722    0.8650 H   0  0  0  0  0
   -1.7865    3.4464    2.5823 H   0  0  0  0  0
   -0.1807    3.8545    2.8827 H   0  0  0  0  0
    3.3262    3.1388    0.0170 H   0  0  0  0  0
    4.3364   -2.5067   -0.3814 H   0  0  0  0  0
    5.9181   -1.8944   -0.6648 H   0  0  0  0  0
    8.3789    4.3061   -0.6577 H   0  0  0  0  0
   11.0794    4.1899   -1.0869 H   0  0  0  0  0
   11.5915    1.4959   -1.4439 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 32  1  0  0  0
 20 21  2  0  0  0
 20 33  1  0  0  0
 21 22  1  0  0  0
 21 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL366905

>  <PubChem CID>
10193038

>  <Formula>
C15H12N6O

>  <Molecular Weight>
292.302000

>  <IUPAC Name>
7-(3-aminophenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=CC(=C1)N)C2=CC3=NC(=NN3C(=N2)N)C4=CC=CO4

>  <Isomeric SMILES>
C1=CC(=CC(=C1)N)C2=CC3=NC(=NN3C(=N2)N)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C15H12N6O/c16-10-4-1-3-9(7-10)11-8-13-19-14(12-5-2-6-22-12)20-21(13)15(17)18-11/h1-8H,16H2,(H2,17,18)

>  <InChI Key>
ACHCEXBCXBDHMK-UHFFFAOYSA-N

