Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0M6T2W2993
EPA CompTox DTXSID00182774

Structure

InChI Key BJHCGMHPEKLROM-UHFFFAOYSA-N
Smiles CC1=NC=CN=C1N1CCCCC1
InChI
InChI=1S/C10H15N3/c1-9-10(12-6-5-11-9)13-7-3-2-4-8-13/h5-6H,2-4,7-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N3
Molecular Weight 177.13
AlogP 1.78
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 29.02
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 2856-74-8
NORMAN SUSDAT
FDA SRS 0M6T2W2993
PubChem 17860
ChemSpider 16870.0