46829228
  -OEChem-05092423092D

 23 24  0     0  0  0  0  0  0999 V2000
    4.4487    2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.7420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268    0.2686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253    0.9589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721    0.9589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706    0.2686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253    1.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268    2.4338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706    2.4338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721    1.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -2.5582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46829228

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
193

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjsAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHgAIAAAAAADhggYtgBMIBACqABAnVAAABAQRkgAeAAAYMACCQAAAAAATAAAIBgKQACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
morpholino(triazol-1-yl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
4-morpholinyl(1-triazolyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
morpholin-4-yl(triazol-1-yl)methanone

> <PUBCHEM_IUPAC_NAME>
morpholin-4-yl(triazol-1-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
morpholin-4-yl(1,2,3-triazol-1-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
morpholino(triazol-1-yl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H10N4O2/c12-7(11-2-1-8-9-11)10-3-5-13-6-4-10/h1-2H,3-6H2

> <PUBCHEM_IUPAC_INCHIKEY>
WPJZJLSSAJPIDA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.8

> <PUBCHEM_EXACT_MASS>
182.08037557

> <PUBCHEM_MOLECULAR_FORMULA>
C7H10N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
182.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C(=O)N2C=CN=N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C(=O)N2C=CN=N2

> <PUBCHEM_CACTVS_TPSA>
60.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.08037557

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
12  13  8
4  12  8
4  5  8
5  6  8
6  13  8

$$$$