Mrv1572004221603532D          

  6  6  0  0  0  0            999 V2000
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017371

> <DATABASE_NAME>
chemdb

> <SMILES>
NN1C=NN=C1

> <INCHI_IDENTIFIER>
InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2

> <INCHI_KEY>
FMCUPJKTGNBGEC-UHFFFAOYSA-N

> <FORMULA>
C2H4N4

> <MOLECULAR_WEIGHT>
84.082

> <EXACT_MASS>
84.043596145

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
7.279287712304253

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4H-1,2,4-triazol-4-amine

> <ALOGPS_LOGP>
-1.44

> <JCHEM_LOGP>
-2.0712748776666667

> <ALOGPS_LOGS>
-0.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.8578584533904912

> <JCHEM_POLAR_SURFACE_AREA>
56.73

> <JCHEM_REFRACTIVITY>
25.123799999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.62e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4H-1,2,4-triazole, 4-amino-

> <JCHEM_VEBER_RULE>
0

> <NAME>
4-Amino-1,2,4-triazole

> <CAS>
584-13-4

> <SYNONYMS>
4H-1,2,4-triazol-4-amine

$$$$