Synonyms
Status
Molecule Category UNKNOWN
UNII JU58VJ6Y3B
EPA CompTox DTXSID0023117

Structure

InChI Key ZRALSGWEFCBTJO-UHFFFAOYSA-N
Smiles N=C(N)N
InChI
InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula CH5N3
Molecular Weight 59.07
AlogP -1.16
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 0.0
Polar Surface Area 75.89
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 4.0
Assay Description Organism Bioactivity Reference
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 106.55 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 100.02 %

Cross References

Resources Reference
ChEBI 42820
ChEMBL CHEMBL821
DrugBank DB00536
DrugCentral 1344
FDA SRS JU58VJ6Y3B
Human Metabolome Database HMDB0001842
Guide to Pharmacology 4783
PDB GAI
PharmGKB PA164781028
PubChem 3520
SureChEMBL SCHEMBL2003
ZINC ZINC000008101126