Mrv0541 02231219482D          

  6  6  0  0  0  0            999 V2000
   24.7566   -7.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3045   -7.5024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8919   -6.2328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9719   -7.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6371   -7.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7171   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0003929

> <DATABASE_NAME>
bmdb

> <SMILES>
NC1=CN=CN1

> <INCHI_IDENTIFIER>
InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)

> <INCHI_KEY>
QRZMXADUXZADTF-UHFFFAOYSA-N

> <FORMULA>
C3H5N3

> <MOLECULAR_WEIGHT>
83.0919

> <EXACT_MASS>
83.048347175

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
7.97001904798279

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1H-imidazol-5-amine

> <ALOGPS_LOGP>
-1.08

> <JCHEM_LOGP>
-0.8848591523333333

> <ALOGPS_LOGS>
0.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.837397549237902

> <JCHEM_PKA_STRONGEST_BASIC>
8.35929265195974

> <JCHEM_POLAR_SURFACE_AREA>
54.7

> <JCHEM_REFRACTIVITY>
22.966499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.19e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-aminoimidazole

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0003929

> <GENERIC_NAME>
5-Aminoimidazole

> <SYNONYMS>
4-Aminoimidazole; Aminoimidazole

$$$$