7955
  -OEChem-04252416472D

 15 15  0     0  0  0  0  0  0999 V2000
    4.2690    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7955

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
63.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDgAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAABAAQAAAAAAAAAAABEAZIEAAgAAAAJAAAAAkAAIABAAAAAACACAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_NAME>
1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,5-triazine-2,4,6-triamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
melamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)

> <PUBCHEM_IUPAC_INCHIKEY>
JDSHMPZPIAZGSV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-1.4

> <PUBCHEM_EXACT_MASS>
126.06539422

> <PUBCHEM_MOLECULAR_FORMULA>
C3H6N6

> <PUBCHEM_MOLECULAR_WEIGHT>
126.12

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=NC(=NC(=N1)N)N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=NC(=NC(=N1)N)N)N

> <PUBCHEM_CACTVS_TPSA>
117

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
126.06539422

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  7  8
1  8  8
2  7  8
2  9  8
3  8  8
3  9  8

$$$$