339
  Mrv0541 02231214362D          

  9  9  0  0  0  0            999 V2000
    2.8075   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00339

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Pyrazinamide

> <SYNONYMS>
Pirazimida; Pirazinamid; Pyrazinamdie; Pyrazine carboxylamide; Pyrazineamide; Pyrazinecarboxamide; Pyrazinecarboxylic acid amide; Pyrazinoic acid amide; PZA

> <BRANDS>
Aldinamid; Aldinamide; Braccopiral; Corsazinmid; Dipimide; Eprazin; Farmizina; Isopas; Lynamide; Novamid; Pezetamid; Piraldina; pms-Pyrazinamide; Prazina; Pyrafat; Pyramide; Pyrazide; Pyrazinamide BP 2000; Rozide; Tebrazid; Tebrazio; Unipyranamide; Zinamide; Zinastat

> <CHEMICAL_FORMULA>
C5H5N3O

> <MOLECULAR_WEIGHT>
123.1127

> <EXACT_MASS>
123.043261797

> <IUPAC_NAME>
pyrazine-2-carboxamide

> <INCHI_IDENTIFIER>
InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)

> <INCHI_KEY>
InChIKey=IPEHBUMCGVEMRF-UHFFFAOYSA-N

> <SMILES>
NC(=O)C1=NC=CN=C1

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_DONOR_COUNT>
1

> <ALOGPS_LOGP>
-0.71

> <JCHEM_LOGP>
-1.2

> <ALOGPS_LOGS>
-0.12

> <JCHEM_POLARIZABILITY>
11.13

> <JCHEM_POLAR_SURFACE_AREA>
68.87

> <JCHEM_REFRACTIVITY>
30.45

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <ALOGPS_SOLUBILITY>
9.37e+01 g/l

$$$$