
 CHEMBL324890

 26 27  0  0  0  0  0  0  0  0999 V2000
   -0.6973    1.2350    0.1693 C   0  0  0  0  0
   -1.1405    0.1844    0.9589 C   0  0  0  0  0
   -0.2294   -0.8009    1.2917 C   0  0  0  0  0
    1.0595   -0.8053    0.8826 N   0  0  0  0  0
    1.4819    0.2088    0.1034 C   0  0  0  0  0
    0.6303    1.2528   -0.2541 C   0  0  0  0  0
    2.8261    0.2769   -0.3138 N   0  0  0  0  0
    3.5826   -0.9650   -0.0695 C   0  0  0  0  0
    5.0540   -0.7828   -0.4795 C   0  0  0  0  0
    5.8140    0.1531    0.4016 C   0  0  0  0  0
    7.1448    0.2190    0.7524 C   0  0  0  0  0
    7.3789    1.2734    1.5978 N   0  0  0  0  0
    6.2093    1.8472    1.7668 C   0  0  0  0  0
    5.2327    1.2118    1.0580 N   0  0  0  0  0
   -1.3747    2.0371   -0.1124 H   0  0  0  0  0
   -2.1642    0.1374    1.3121 H   0  0  0  0  0
   -0.5170   -1.6401    1.9167 H   0  0  0  0  0
    0.9923    2.0785   -0.8576 H   0  0  0  0  0
    2.8372    0.5156   -1.3039 H   0  0  0  0  0
    3.1509   -1.7788   -0.6660 H   0  0  0  0  0
    3.5401   -1.2489    0.9904 H   0  0  0  0  0
    5.1125   -0.4204   -1.5131 H   0  0  0  0  0
    5.5448   -1.7636   -0.4536 H   0  0  0  0  0
    7.9481   -0.4366    0.4421 H   0  0  0  0  0
    6.0096    2.7140    2.3828 H   0  0  0  0  0
    4.2471    1.4513    1.0243 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  3  4  2  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL324890

>  <PubChem CID>
10419983

>  <Formula>
C10H12N4

>  <Molecular Weight>
188.234000

>  <IUPAC Name>
N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=NC(=C1)NCCC2=CN=CN2

>  <Isomeric SMILES>
C1=CC=NC(=C1)NCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C10H12N4/c1-2-5-12-10(3-1)13-6-4-9-7-11-8-14-9/h1-3,5,7-8H,4,6H2,(H,11,14)(H,12,13)

>  <InChI Key>
AZCQYHWUPMGQGF-UHFFFAOYSA-N

