126383
  -OEChem-04262419422D

 15 15  0     1  0  0  0  0  0999 V2000
    2.4608   -0.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197   -1.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9470    1.1053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9150    0.4059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4150   -1.1329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240   -0.1819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4150   -1.1329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    0.1271    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1060   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6157    0.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3574    1.2969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4078    1.5201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3137    0.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
126383

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
139

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDsAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAYCAAACCjBgwQBGARCAgAqAAKwKAAAAAIAAAAUIIGwAAACQAgAAAAAQAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-2-(2H-tetrazol-5-yl)acetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-2-(2H-tetrazol-5-yl)acetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-amino-2-(2<I>H</I>-tetrazol-5-yl)acetic acid

> <PUBCHEM_IUPAC_NAME>
2-amino-2-(2H-tetrazol-5-yl)acetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-2-(2H-1,2,3,4-tetrazol-5-yl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-2-(2H-tetrazol-5-yl)acetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H5N5O2/c4-1(3(9)10)2-5-7-8-6-2/h1H,4H2,(H,9,10)(H,5,6,7,8)

> <PUBCHEM_IUPAC_INCHIKEY>
UKBRUIZWQZHXFL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-4.1

> <PUBCHEM_EXACT_MASS>
143.04432442

> <PUBCHEM_MOLECULAR_FORMULA>
C3H5N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
143.10

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=NNN=N1)C(C(=O)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=NNN=N1)C(C(=O)O)N

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
143.04432442

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
8  3  3
4  6  8
4  9  8
5  7  8
5  9  8
6  7  8

$$$$