Structure

InChI Key RPTUSVTUFVMDQK-UHFFFAOYSA-N
Smile 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 4 D006973 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Atherosclerosis 3 D050197 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials
Uterine Cervical Neoplasms 3 D002583 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Stroke 2 D020521 ClinicalTrials
Pre-Eclampsia 2 D011225 ClinicalTrials
Heart Diseases 2 D006331 ClinicalTrials
Cerebral Hemorrhage 2 D002543 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials
Polycystic Kidney Diseases 0 D007690 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 86-54-4
ChEBI 5775
ChEMBL CHEMBL276832
DrugBank DB01275
DrugCentral 1384
EPA CompTox DTXSID4023129
FDA SRS 26NAK24LS8
Human Metabolome Database HMDB0015400
Guide to Pharmacology 7326
KEGG C07040
PDB HLZ
PharmGKB PA449894
PubChem 3637
SureChEMBL SCHEMBL7810
ZINC ZINC000012360535