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

Structure

InChI Key BQHMTYOLQNZWLS-UHFFFAOYSA-N
Smiles N(=CN(C)C)C=1C(=NC(=CC1C)C)C
InChI
InChI=1/C11H17N3/c1-8-6-9(2)13-10(3)11(8)12-7-14(4)5/h6-7H,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17N3
Molecular Weight 191.14
AlogP 2.23
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 28.49
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 93841-29-3
NORMAN SUSDAT
PubChem 3022610