Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40991761

Structure

InChI Key QIDUEETVXGUHHZ-UHFFFAOYSA-N
Smiles O=C1C2=C(N=C(N2C)N(CC)CC)N(C(=O)N1C)C
InChI
InChI=1/C12H19N5O2/c1-6-17(7-2)11-13-9-8(14(11)3)10(18)16(5)12(19)15(9)4/h6-7H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19N5O2
Molecular Weight 265.15
AlogP -0.18
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 3.0
Polar Surface Area 65.06
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 71411-94-4
NORMAN SUSDAT
PubChem 3018119