Structure

InChI Key HHYPDQBCLQZKLI-UHFFFAOYSA-N
Smiles OCCN(CN1N=NC=2C=C(C=CC21)C)CCO
InChI
InChI=1/C12H18N4O2/c1-10-2-3-12-11(8-10)13-14-16(12)9-15(4-6-17)5-7-18/h2-3,8,17-18H,4-7,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18N4O2
Molecular Weight 250.14
AlogP -0.02
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 74.41
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 80584-88-9
NORMAN SUSDAT
PubChem 13827790