
 CHEMBL110609

 49 52  0  0  0  0  0  0  0  0999 V2000
    3.6689   -1.0459    2.1976 C   0  0  0  0  0
    3.2312    0.0816    1.2777 C   0  0  0  0  0
    4.1976    0.3698    0.1240 C   0  0  0  0  0
    5.4946    0.9101    0.5454 N   0  0  0  0  0
    6.5371    0.0614    0.7401 C   0  0  0  0  0
    7.7651    0.3652    1.1614 N   0  0  0  0  0
    8.3331   -0.8471    1.3118 N   0  0  0  0  0
    7.4871   -1.8541    0.9216 C   0  0  0  0  0
    6.3577   -1.2783    0.5432 N   0  0  0  0  0
    7.6350   -3.3105    1.0437 C   0  0  0  0  0
    8.7579   -4.0682    0.6810 C   0  0  0  0  0
    8.7612   -5.4641    0.8441 C   0  0  0  0  0
    7.6289   -6.1183    1.3210 C   0  0  0  0  0
    6.4882   -5.3993    1.6431 C   0  0  0  0  0
    6.4991   -4.0087    1.5089 C   0  0  0  0  0
    7.6340   -7.8299    1.4934 Cl  0  0  0  0  0
   10.1596   -3.3842   -0.0612 Cl  0  0  0  0  0
    9.6131   -0.9134    1.9673 C   0  0  0  0  0
    5.6955    2.3502    0.7755 C   0  0  0  0  0
    4.8210    3.2039   -0.1229 C   0  0  0  0  0
    5.3898    4.4254   -0.8114 C   0  0  0  0  0
    5.0290    3.2146   -1.6209 C   0  0  0  0  0
    5.4564    2.6977    2.2339 C   0  0  0  0  0
    6.6131    2.9351    3.1768 C   0  0  0  0  0
    5.7468    4.0866    2.7568 C   0  0  0  0  0
    2.9028   -1.2342    2.9573 H   0  0  0  0  0
    4.5990   -0.8069    2.7207 H   0  0  0  0  0
    3.8082   -1.9725    1.6327 H   0  0  0  0  0
    3.0443    0.9836    1.8661 H   0  0  0  0  0
    2.2637   -0.2007    0.8438 H   0  0  0  0  0
    3.6959    1.0579   -0.5638 H   0  0  0  0  0
    4.3235   -0.5392   -0.4771 H   0  0  0  0  0
    9.6409   -6.0424    0.5733 H   0  0  0  0  0
    5.5888   -5.9000    1.9866 H   0  0  0  0  0
    5.5891   -3.4600    1.7496 H   0  0  0  0  0
   10.3921   -0.8181    1.2081 H   0  0  0  0  0
    9.7026   -1.8501    2.5180 H   0  0  0  0  0
    9.6945   -0.0804    2.6731 H   0  0  0  0  0
    6.7348    2.6065    0.5269 H   0  0  0  0  0
    3.8028    3.2752    0.2427 H   0  0  0  0  0
    6.4432    4.6521   -0.6908 H   0  0  0  0  0
    4.7556    5.3004   -0.8930 H   0  0  0  0  0
    4.1487    3.2645   -2.2511 H   0  0  0  0  0
    5.8323    2.6092   -2.0272 H   0  0  0  0  0
    4.5839    2.2075    2.6431 H   0  0  0  0  0
    7.6210    2.8846    2.7806 H   0  0  0  0  0
    6.5187    2.5667    4.1914 H   0  0  0  0  0
    5.0591    4.5016    3.4849 H   0  0  0  0  0
    6.1743    4.8209    2.0842 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4 19  1  0  0  0
  4  5  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
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 24 47  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL110609

>  <PubChem CID>
9886113

>  <Formula>
C19H24Cl2N4

>  <Molecular Weight>
379.329000

>  <IUPAC Name>
5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-1-methyl-N-propyl-1,2,4-triazol-3-amine

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(C1=NN(C(=N1)C2=C(C=C(C=C2)Cl)Cl)C)C(C3CC3)C4CC4

>  <Isomeric SMILES>
CCCN(C1=NN(C(=N1)C2=C(C=C(C=C2)Cl)Cl)C)C(C3CC3)C4CC4

>  <InChI Std. ID>
InChI=1S/C19H24Cl2N4/c1-3-10-25(17(12-4-5-12)13-6-7-13)19-22-18(24(2)23-19)15-9-8-14(20)11-16(15)21/h8-9,11-13,17H,3-7,10H2,1-2H3

>  <InChI Key>
OHAPFIXJEPEEFO-UHFFFAOYSA-N

