Compound 152
  CheckMol                        TMF02:r0:m0
MF=C6H6N4O2 MW=166.14
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2885   -0.7329   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767   -2.2224   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5770    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8655   -0.6974   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5652    1.5486   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1540    0.0709   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8537    2.3169   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2530    2.3051   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1422    1.5840   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2412    3.8182   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591    1.5604   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10 02  0  1  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 10 01  0  1  0  0
M  END

2D Structure

2,3-Pyrazinedicarboxamide

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Chemical Name - 2,3-Pyrazinedicarboxamide
Mol Weight - 166.14
Smiles - NC(c1nccnc1C(N)=O)=O

Property Name	Property Value
Mol Name	2,3-Pyrazinedicarboxamide
Molweight	166.14
Monoisotopic Mass	166.049076
Clogp	-2.0596
Clogs	-0.252
H Acceptors	6
H Donors	2
Total Surface Area	123.32
Relative Psa	0.63704
Polar Surface Area	111.96
Druglikeness	-0.67966
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.48392
Molecular Complexity	0.70808
Fragments	1
Non H Atoms	12
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Symmetric Atoms	6
Amides	2
Aromatic Nitrogens	2
Smiles	NC(c1nccnc1C(N)=O)=O
InChIKey	InChI=1S/C6H6N4O2/c7-5(11)3-4(6(8)12)10-2-1-9-3/h1-2H,(H2,7,11)(H2,8,12)
InChI	TZMYZOQDDVSLJU-UHFFFAOYSA-N

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