10005
  -OEChem-05191306032D

 10  9  0     0  0  0  0  0  0999 V2000
    4.5981    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  3  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10005

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
100

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAQAAAAAAAAAAABAAJAAAAwAAAAJAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-cyanoguanidine

> <PUBCHEM_IUPAC_CAS_NAME>
2-cyanoguanidine

> <PUBCHEM_IUPAC_NAME>
2-cyanoguanidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-cyanoguanidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-cyanoguanidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)

> <PUBCHEM_IUPAC_INCHIKEY>
QGBSISYHAICWAH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-1.2

> <PUBCHEM_EXACT_MASS>
84.043596

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4N4

> <PUBCHEM_MOLECULAR_WEIGHT>
84.07996

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(#N)N=C(N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(#N)N=C(N)N

> <PUBCHEM_CACTVS_TPSA>
88.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
84.043596

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$