NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-{3-[1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl]propyl}pyrrolidin-2-one
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IUPAC Traditional name
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1-{3-[2-(2-hydroxyethyl)-5-(pyridin-4-yl)-1,2,4-triazol-3-yl]propyl}pyrrolidin-2-one
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Synonyms
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1-{3-[1-(2-hydroxyethyl)-3-pyridin-4-yl-1H-1,2,4-triazol-5-yl]propyl}pyrrolidin-2-one
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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15.385945
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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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0.15920024
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LogD (pH = 7.4)
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0.16034287
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Log P
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0.16035748
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Molar Refractivity
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108.1726 cm3
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Polarizability
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33.239464 Å3
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Polar Surface Area
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84.14 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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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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Log P
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-0.15
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LOG S
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-2.68
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Polar Surface Area
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84.14 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent