Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 74M9NU9VB2
EPA CompTox DTXSID8061688

Structure

InChI Key NBGMCAGDMQPEBF-UHFFFAOYSA-N
Smiles Cc1nc2nc(N)nc(N)c2nc1C
InChI
InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10N6
Molecular Weight 190.1
AlogP 0.03
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Polar Surface Area 104.33
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1425-63-4
NORMAN SUSDAT
FDA SRS 74M9NU9VB2
PubChem 74023
ChemSpider 66644.0