26009888
  -OEChem-04252404122D

 15 15  0     0  0  0  0  0  0999 V2000
    2.6166    1.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -0.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2044    0.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4645   -0.3952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5134   -0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8954   -0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    0.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057   -0.2777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0844   -1.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -2.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3244   -1.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9252    0.0197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5934   -1.0016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
26009888

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
87.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjIAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAQCAAAAADBggQvlBdMEgCgABAnZAQAgC0RUqABQAAbMASCSAAQCAAQAAAIAAIQACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-1-methyl-imidazol-4-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-1-methyl-4-imidazolol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-amino-1-methylimidazol-4-ol

> <PUBCHEM_IUPAC_NAME>
2-amino-1-methylimidazol-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-1-methyl-imidazol-4-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-1-methyl-imidazol-4-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2,8H,1H3,(H2,5,6)

> <PUBCHEM_IUPAC_INCHIKEY>
BTXYOFGSUFEOLA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.4

> <PUBCHEM_EXACT_MASS>
113.058911855

> <PUBCHEM_MOLECULAR_FORMULA>
C4H7N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
113.12

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C=C(N=C1N)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C=C(N=C1N)O

> <PUBCHEM_CACTVS_TPSA>
64.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
113.058911855

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
2  5  8
2  6  8
3  5  8
3  8  8
6  8  8

$$$$