Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VQM3328PO0

Structure

InChI Key YYHWOTFWBVRTQD-UHFFFAOYSA-N
Smiles Cc1cc(nn2cnnc12)N3CCCCC3
InChI
InChI=1S/C11H15N5/c1-9-7-10(15-5-3-2-4-6-15)14-16-8-12-13-11(9)16/h7-8H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15N5
Molecular Weight 217.13
AlogP 1.42
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 46.32
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 56383-05-2
NORMAN SUSDAT
FDA SRS VQM3328PO0