NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-(prop-2-en-1-yl)-5-(quinolin-6-yl)-4H-1,2,4-triazole-3-thiol
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IUPAC Traditional name
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4-(prop-2-en-1-yl)-5-(quinolin-6-yl)-1,2,4-triazole-3-thiol
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Synonyms
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4-allyl-5-quinolin-6-yl-4H-1,2,4-triazole-3-thiol
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4-Allyl-5-(quinol-6-yl)-1,2,4-triazole-3-thiol
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Lipinski's Rule of Five
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true
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Acid pKa
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8.035616
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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2.7858832
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LogD (pH = 7.4)
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2.722182
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Log P
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2.809132
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Molar Refractivity
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89.7944 cm3
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Polarizability
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31.54897 Å3
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Polar Surface Area
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43.6 Å2
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Rotatable Bonds
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3
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PATENTS
PATENTS
PubChem Patent
Google Patent