
 N-[3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide

 39 42  0  0  0  0  0  0  0  0999 V2000
    0.6690    0.8979    0.0644 C   0  0  0  0  0
    2.1542    0.6204    0.0099 C   0  0  0  0  0
    2.5178   -0.6309   -0.0109 N   0  0  0  0  0
    3.8665   -0.8634   -0.0440 N   0  0  0  0  0
    4.5317   -2.0770   -0.0355 C   0  0  0  0  0
    5.8301   -1.8376   -0.1653 N   0  0  0  0  0
    6.0296   -0.4745   -0.1938 N   0  0  0  0  0
    4.8488    0.0951   -0.1076 C   0  0  0  0  0
    4.4721    1.4893   -0.0799 C   0  0  0  0  0
    5.4113    2.5223   -0.1055 C   0  0  0  0  0
    4.9812    3.8491   -0.0650 C   0  0  0  0  0
    3.6178    4.1435   -0.0003 C   0  0  0  0  0
    2.6737    3.1138    0.0245 C   0  0  0  0  0
    3.1011    1.7836   -0.0145 C   0  0  0  0  0
    3.9080   -3.4000    0.0728 C   0  0  0  0  0
    2.7066   -3.6024    0.7752 C   0  0  0  0  0
    2.1202   -4.8673    0.8665 C   0  0  0  0  0
    2.7561   -5.9519    0.2522 C   0  0  0  0  0
    3.9603   -5.7750   -0.4310 C   0  0  0  0  0
    4.5342   -4.5066   -0.5155 C   0  0  0  0  0
    0.9088   -5.1251    1.5440 N   0  0  0  0  0
    0.1197   -4.2235    2.2368 C   0  0  0  0  0
    0.3441   -3.0341    2.4296 O   0  0  0  0  0
   -1.1132   -4.8706    2.8161 C   0  0  0  0  0
    0.4261    1.4546    0.9736 H   0  0  0  0  0
    0.1083   -0.0422    0.0786 H   0  0  0  0  0
    0.3626    1.4671   -0.8174 H   0  0  0  0  0
    6.4751    2.2968   -0.1527 H   0  0  0  0  0
    5.7114    4.6553   -0.0819 H   0  0  0  0  0
    3.2903    5.1806    0.0324 H   0  0  0  0  0
    1.6209    3.3742    0.0765 H   0  0  0  0  0
    2.2375   -2.7530    1.2598 H   0  0  0  0  0
    2.3297   -6.9503    0.3008 H   0  0  0  0  0
    4.4535   -6.6239   -0.8978 H   0  0  0  0  0
    5.4753   -4.3810   -1.0490 H   0  0  0  0  0
    0.5895   -6.0849    1.5234 H   0  0  0  0  0
   -1.8899   -4.1123    2.9520 H   0  0  0  0  0
   -0.8662   -5.3152    3.7835 H   0  0  0  0  0
   -1.5055   -5.6399    2.1452 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 14  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 15  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 17 21  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 35  1  0  0  0
 21 22  1  0  0  0
 21 36  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 37  1  0  0  0
 24 38  1  0  0  0
 24 39  1  0  0  0
M  END

>  <Chemical Name>
N-[3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide

>  <PubChem CID>
938163

>  <Formula>
C18H15N5O

>  <Molecular Weight>
317.352000

>  <IUPAC Name>
N-[3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=CC=C4)NC(=O)C

>  <Isomeric SMILES>
CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=CC=C4)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C18H15N5O/c1-11-15-8-3-4-9-16(15)18-21-20-17(23(18)22-11)13-6-5-7-14(10-13)19-12(2)24/h3-10H,1-2H3,(H,19,24)

>  <InChI Key>
AEEYUUOMKSZOEL-UHFFFAOYSA-N

