Chem 25 Pyrazinedicarboxamide Dsrpl

Compound 151
  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
   -0.0119   -1.4976   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -2.2463   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836   -2.2463   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5791   -1.4738   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2717   -3.7439   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8746   -2.2107   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5672   -4.4808   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8627   -3.7082   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1582   -4.4451   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1464   -5.9427   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4537   -3.6726   -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
  7  9 02  0  1  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8  9 01  0  1  0  0
M  END

2,5-Pyrazinedicarboxamide

₹ 0.00 0.00

Chemical Name - 2,5-Pyrazinedicarboxamide
Mol Weight - 166.14
Smiles - NC(c(nc1)cnc1C(N)=O)=O

Property Name	Property Value
Mol Name	2,5-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	0.66667
Molecular Flexibility	0.48392
Molecular Complexity	0.66172
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(c(nc1)cnc1C(N)=O)=O
InChIKey	InChI=1S/C6H6N4O2/c7-5(11)3-1-9-4(2-10-3)6(8)12/h1-2H,(H2,7,11)(H2,8,12)
InChI	CLLHVSIBXXMHJI-UHFFFAOYSA-N

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2,5-Pyrazinedicarboxamide