Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EYG5Y6355E
EPA CompTox DTXSID0045416

Structure

InChI Key GSNOZLZNQMLSKJ-UHFFFAOYSA-N
Smiles CCN(CC)c1cc(C)nc2ncnn12
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N5
Molecular Weight 205.13
AlogP 1.28
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 46.32
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 15421-84-8
NORMAN SUSDAT
FDA SRS EYG5Y6355E
PubChem 5531
ChemSpider 5330.0