Mrv1572010291514042D          

 15 16  0  0  0  0            999 V2000
   -0.3081    0.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063   -0.6530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3081   -1.8905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1870   -0.4016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1870   -1.7294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3081   -0.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225    0.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063    0.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225   -0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063   -1.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225   -1.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225    1.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063    1.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370   -1.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6684   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4 15  2  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09283

> <DATABASE_NAME>
drugbank

> <SMILES>
CCN(CC)C1=CC(C)=NC2=NC=NN12

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3

> <INCHI_KEY>
GSNOZLZNQMLSKJ-UHFFFAOYSA-N

> <FORMULA>
C10H15N5

> <MOLECULAR_WEIGHT>
205.265

> <EXACT_MASS>
205.132745503

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
22.547412990630455

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

> <ALOGPS_LOGP>
1.85

> <JCHEM_LOGP>
1.254873538

> <ALOGPS_LOGS>
-2.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.0231379719547515

> <JCHEM_POLAR_SURFACE_AREA>
46.32

> <JCHEM_REFRACTIVITY>
71.3755

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.93e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trapidil

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09283

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Trapidil

> <SYNONYMS>
Trapidil

$$$$