Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M04AA02
UNII: 79F9I2R16M

Structure

InChI Key PYAOPMWCFSVFOT-UHFFFAOYSA-N
Smile Sc1[nH]cnc2nncc1-2
InChI
InChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4N4S
Molecular Weight 152.18
AlogP 0.59
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 54.46
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 10.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 134776
ChEMBL CHEMBL119423
DrugBank DB13807
DrugCentral 2682
EPA CompTox DTXSID90201488
FDA SRS 79F9I2R16M
PubChem 135445058
SureChEMBL SCHEMBL93974
ZINC ZINC000004353300