
 N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

 42 45  0  0  0  0  0  0  0  0999 V2000
    4.3978    3.5653   -2.0357 C   0  0  0  0  0
    3.5519    2.5249   -1.3504 C   0  0  0  0  0
    2.3229    2.5422   -1.4657 O   0  0  0  0  0
    4.1340    1.5440   -0.6124 N   0  0  0  0  0
    5.4512    1.3692   -0.3109 C   0  0  0  0  0
    5.8668    0.2905    0.3636 N   0  0  0  0  0
    7.1898    0.5388    0.4567 N   0  0  0  0  0
    8.1724   -0.3633    1.0715 C   0  0  0  0  0
    9.6008    0.1021    0.8100 C   0  0  0  0  0
    9.8378    1.2754    0.1937 C   0  0  0  0  0
    8.8102    2.0735   -0.2597 N   0  0  0  0  0
    7.5197    1.7017   -0.1859 C   0  0  0  0  0
    6.4350    2.2534   -0.6613 N   0  0  0  0  0
   11.2064    1.7589   -0.0088 C   0  0  0  0  0
   11.8555    2.4708    1.0075 C   0  0  0  0  0
   13.1464    2.9613    0.8065 C   0  0  0  0  0
   13.7942    2.7409   -0.4084 C   0  0  0  0  0
   13.1540    2.0298   -1.4233 C   0  0  0  0  0
   11.8619    1.5399   -1.2256 C   0  0  0  0  0
    7.9115   -0.5122    2.5637 C   0  0  0  0  0
    7.5531   -1.7607    3.0966 C   0  0  0  0  0
    7.3254   -1.9086    4.4662 C   0  0  0  0  0
    7.4530   -0.8142    5.3193 C   0  0  0  0  0
    7.8062    0.4312    4.8062 C   0  0  0  0  0
    8.0336    0.5833    3.4383 C   0  0  0  0  0
    4.8660    4.2213   -1.2979 H   0  0  0  0  0
    3.7607    4.1772   -2.6821 H   0  0  0  0  0
    5.1487    3.0903   -2.6728 H   0  0  0  0  0
    3.5176    0.8472   -0.2232 H   0  0  0  0  0
    8.0330   -1.3251    0.5605 H   0  0  0  0  0
   10.4119   -0.5299    1.1589 H   0  0  0  0  0
    9.0663    2.9270   -0.7472 H   0  0  0  0  0
   11.3550    2.6549    1.9555 H   0  0  0  0  0
   13.6445    3.5188    1.5957 H   0  0  0  0  0
   14.7988    3.1258   -0.5654 H   0  0  0  0  0
   13.6601    1.8604   -2.3703 H   0  0  0  0  0
   11.3685    0.9926   -2.0257 H   0  0  0  0  0
    7.4399   -2.6283    2.4497 H   0  0  0  0  0
    7.0427   -2.8781    4.8685 H   0  0  0  0  0
    7.2717   -0.9308    6.3846 H   0  0  0  0  0
    7.9010    1.2864    5.4704 H   0  0  0  0  0
    8.3052    1.5669    3.0590 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5 13  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 40  1  0  0  0
 24 25  2  0  0  0
 24 41  1  0  0  0
 25 42  1  0  0  0
M  END

>  <Chemical Name>
N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

>  <PubChem CID>
2921551

>  <Formula>
C19H17N5O

>  <Molecular Weight>
331.379000

>  <IUPAC Name>
N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NC1=NN2C(C=C(NC2=N1)C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
CC(=O)NC1=NN2C(C=C(NC2=N1)C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H17N5O/c1-13(25)20-18-22-19-21-16(14-8-4-2-5-9-14)12-17(24(19)23-18)15-10-6-3-7-11-15/h2-12,17H,1H3,(H2,20,21,22,23,25)

>  <InChI Key>
ITAYCPJRRCJTIL-UHFFFAOYSA-N

