Mrv1652304272018442D          

  8  8  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005675

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=C(C)N=NN=N1

> <INCHI_IDENTIFIER>
InChI=1S/C4H6N4/c1-3-4(2)6-8-7-5-3/h1-2H3

> <INCHI_KEY>
QKAQHZQRXSCMRY-UHFFFAOYSA-N

> <FORMULA>
C4H6N4

> <MOLECULAR_WEIGHT>
110.12

> <EXACT_MASS>
110.059246209

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
10.330942985655627

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dimethyl-1,2,3,4-tetrazine

> <ALOGPS_LOGP>
-0.35

> <JCHEM_LOGP>
-1.335129461333333

> <ALOGPS_LOGS>
-0.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.829134830408663

> <JCHEM_POLAR_SURFACE_AREA>
51.56

> <JCHEM_REFRACTIVITY>
32.674

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.45e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethyl-1,2,3,4-tetrazine

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB005675

> <GENERIC_NAME>
Dimethyltetrazine

$$$$