
 CHEMBL567584

 36 39  0  0  0  0  0  0  0  0999 V2000
   -0.1083    0.0282    1.4577 C   0  0  0  0  0
    1.2044    0.0796    0.7704 C   0  0  0  0  0
    1.9660    1.1639    0.3590 C   0  0  0  0  0
    3.1997    0.7334   -0.0312 N   0  0  0  0  0
    3.2321   -0.5814    0.0823 N   0  0  0  0  0
    2.0071   -1.0209    0.4688 N   0  0  0  0  0
    1.7464   -2.4153    0.4950 C   0  0  0  0  0
    2.8125   -3.3067    0.3825 C   0  0  0  0  0
    2.6795   -4.6570    0.3873 N   0  0  0  0  0
    1.4283   -5.1459    0.4918 C   0  0  0  0  0
    0.3029   -4.3463    0.5885 C   0  0  0  0  0
    0.4642   -2.9596    0.5863 C   0  0  0  0  0
    1.6131    2.5735    0.3796 C   0  0  0  0  0
    0.3135    3.0177    0.0985 C   0  0  0  0  0
   -0.0079    4.3874    0.1069 C   0  0  0  0  0
   -1.3126    4.8354   -0.1578 C   0  0  0  0  0
   -1.6153    6.1981   -0.1507 C   0  0  0  0  0
   -0.6179    7.1308    0.1171 C   0  0  0  0  0
    0.6839    6.7028    0.3816 C   0  0  0  0  0
    1.0030    5.3354    0.3825 C   0  0  0  0  0
    2.3059    4.8895    0.6447 C   0  0  0  0  0
    2.6062    3.5244    0.6418 C   0  0  0  0  0
   -0.1348   -0.7554    2.2208 H   0  0  0  0  0
   -0.9167   -0.1349    0.7384 H   0  0  0  0  0
   -0.3160    0.9648    1.9852 H   0  0  0  0  0
    3.8441   -2.9717    0.2928 H   0  0  0  0  0
    1.3508   -6.2295    0.4864 H   0  0  0  0  0
   -0.6834   -4.7939    0.6513 H   0  0  0  0  0
   -0.4320   -2.3537    0.6146 H   0  0  0  0  0
   -0.4622    2.2983   -0.1511 H   0  0  0  0  0
   -2.1068    4.1238   -0.3715 H   0  0  0  0  0
   -2.6295    6.5306   -0.3561 H   0  0  0  0  0
   -0.8509    8.1924    0.1191 H   0  0  0  0  0
    1.4509    7.4468    0.5856 H   0  0  0  0  0
    3.1023    5.6015    0.8499 H   0  0  0  0  0
    3.6289    3.2093    0.8435 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 13 22  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 35  1  0  0  0
 22 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL567584

>  <PubChem CID>
45484973

>  <Formula>
C18H14N4

>  <Molecular Weight>
286.338000

>  <IUPAC Name>
3-(5-methyl-4-naphthalen-2-yltriazol-1-yl)pyridine

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N=NN1C2=CN=CC=C2)C3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
CC1=C(N=NN1C2=CN=CC=C2)C3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C18H14N4/c1-13-18(20-21-22(13)17-7-4-10-19-12-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-12H,1H3

>  <InChI Key>
CDMACXOEZRVPAK-UHFFFAOYSA-N

