2-[[(4-Ethylphenyl)methyl]amino]-5-[[(phenylmethyl)amino]methyl][1,2,4]triazo...
C22H24N6O
2768426-49-7 Copyright (C) 2024 ACS
 29 32  0  0  0  0  0  0  0  0999 V2000
    9.3360    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5795    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3495    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5097    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2797    5.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1342    4.3260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1342    1.8342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0395    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8895    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6596    5.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6596    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1996    5.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1996    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9696    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 12  1  0  0  0  0
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 12 16  2  0  0  0  0
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 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <cas.rn>
2768426-49-7

> <cas.index.name>
[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 2-[[(4-ethylphenyl)methyl]amino]-5-[[(phenylmethyl)amino]methyl]-

> <molecular.formula>
C22H24N6O

> <molecular.weight>
388.47

> <density.predicted>
1.28±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-4.48±0.53    Most Acidic Temp: 25 °C

$$$$
