138768
  -OEChem-05122423092D

 12 12  0     0  0  0  0  0  0999 V2000
    3.4030   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
138768

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
21.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYMDAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAACQAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,5,2,4,6-triazatriborinane

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,5,2,4,6-triazatriborinane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,5,2,4,6-triazatriborinane

> <PUBCHEM_IUPAC_NAME>
1,3,5,2,4,6-triazatriborinane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,5,2,4,6-triazatriborinane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,5,2,4,6-triazatriborinane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/B3H6N3/c1-4-2-6-3-5-1/h1-6H

> <PUBCHEM_IUPAC_INCHIKEY>
BGECDVWSWDRFSP-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
81.0840877

> <PUBCHEM_MOLECULAR_FORMULA>
B3H6N3

> <PUBCHEM_MOLECULAR_WEIGHT>
80.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
B1NBNBN1

> <PUBCHEM_OPENEYE_ISO_SMILES>
B1NBNBN1

> <PUBCHEM_CACTVS_TPSA>
36.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
81.0840877

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$