Chem 23 Pyrazinedicarbonitrile Dsrpl

Compound 79
  CheckMol                        TMF02:r0:m0
MF=C6H2N4 MW=130.11
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0117    1.5031   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0235    3.0062   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2565    3.7695   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3270    3.7578   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2448    5.2726   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3387    5.2609   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6304    3.0180   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0587    6.0242   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9339    2.2781   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  8 10  3  0  0  0  0
  7  9 01  0  1  0  0
M  END

2,3-Pyrazinedicarbonitrile

₹ 0.00 0.00

Chemical Name - 2,3-Pyrazinedicarbonitrile
Mol Weight - 130.11
Smiles - N#Cc1nccnc1C#N

Property Name	Property Value
Mol Name	2,3-Pyrazinedicarbonitrile
Molweight	130.11
Monoisotopic Mass	130.027946
Clogp	-0.563
Clogs	-1.62
H Acceptors	4
Total Surface Area	114.2
Relative Psa	0.4296
Polar Surface Area	73.36
Druglikeness	-6.0498
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Complexity	0.6868
Fragments	1
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Symmetric Atoms	5
Aromatic Nitrogens	2
Smiles	N#Cc1nccnc1C#N
InChIKey	InChI=1S/C6H2N4/c7-3-5-6(4-8)10-2-1-9-5/h1-2H
InChI	OTVZGAXESBAAQQ-UHFFFAOYSA-N

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2,3-Pyrazinedicarbonitrile