Betazole hydrochlorideProduct ingredient for Betazole

Name
Betazole hydrochloride
Drug Entry
Betazole

A histamine H2 agonist used clinically to test gastric secretory function.

Accession Number
DBSALT000898
Structure
Synonyms
Betazole HCl
UNII
66ABP6C83F
CAS Number
138-92-1
Weight
Average: 184.06
Monoisotopic: 183.0330028
Chemical Formula
C5H11Cl2N3
InChI Key
BUXCUOWXTOKEMQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N3.2ClH/c6-3-1-5-2-4-7-8-5;;/h2,4H,1,3,6H2,(H,7,8);2*1H
IUPAC Name
2-(1H-pyrazol-3-yl)ethan-1-amine dihydrochloride
SMILES
Cl.Cl.NCCC1=NNC=C1
PubChem Compound
16051987
ChemSpider
60738
ChEBI
31280
ChEMBL
CHEMBL4303510
Wikipedia
Betazole
Predicted Properties
PropertyValueSource
Water Solubility172.0 mg/mLALOGPS
logP-0.41ALOGPS
logP-0.28Chemaxon
logS0.19ALOGPS
pKa (Strongest Acidic)15.16Chemaxon
pKa (Strongest Basic)9.56Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area54.7 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity32.4 m3·mol-1Chemaxon
Polarizability12.05 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon