Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H943V308AD
EPA CompTox DTXSID10199858

Structure

InChI Key CMKUGKVVUUGBHJ-UHFFFAOYSA-N
Smiles O=C1C2=C(N=CN2CCN(C)C)N(C(=O)N1C)C
InChI
InChI=1/C11H17N5O2/c1-13(2)5-6-16-7-12-9-8(16)10(17)15(4)11(18)14(9)3/h7H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17N5O2
Molecular Weight 251.14
AlogP -1.0
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 3.0
Polar Surface Area 65.06
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 519-30-2
NORMAN SUSDAT
FDA SRS H943V308AD
PubChem 10612