NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-[1-(methoxymethoxy)ethyl]-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
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IUPAC Traditional name
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5-[1-(methoxymethoxy)ethyl]-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3-one
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Synonyms
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2,4-Dihydro-5-[1-(methoxymethoxy)ethyl]-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one
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CAS 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
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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9.175552
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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1.7655506
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LogD (pH = 7.4)
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1.7589612
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Log P
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1.7656354
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Molar Refractivity
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75.4148 cm3
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Polarizability
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29.523453 Å3
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Polar Surface Area
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72.39 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent