Synonyms
Status
Molecule Category Free-form
ATC P01AB06
UNII 469ULX0H4G
EPA CompTox DTXSID1057795

Structure

InChI Key MDJFHRLTPRPZLY-UHFFFAOYSA-N
Smiles O=[N+]([O-])c1cncn1CCN1CCOCC1
InChI
InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14N4O3
Molecular Weight 226.24
AlogP 0.12
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 73.43
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Cross References

Resources Reference
ChEBI 134929
ChEMBL CHEMBL435966
DrugBank DB12172
DrugCentral 1938
FDA SRS 469ULX0H4G
PubChem 23009
SureChEMBL SCHEMBL21836
ZINC ZINC000026167988