Synonyms
Status
Molecule Category Free-form
ATC C02DB02
UNII 26NAK24LS8
EPA CompTox DTXSID4023129

Structure

InChI Key RPTUSVTUFVMDQK-UHFFFAOYSA-N
Smiles NNc1nncc2ccccc12
InChI
InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8N4
Molecular Weight 160.18
AlogP 0.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.83
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 12.0

Pharmacology

Cross References

Resources Reference
ChEBI 5775
ChEMBL CHEMBL276832
DrugBank DB01275
DrugCentral 1384
FDA SRS 26NAK24LS8
Human Metabolome Database HMDB0015400
Guide to Pharmacology 7326
KEGG C07040
PDB HLZ
PharmGKB PA449894
PubChem 3637
SureChEMBL SCHEMBL7810
ZINC ZINC000012360535