NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
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IUPAC Traditional name
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4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
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Synonyms
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4-[5-Pyridin-4-Yl-1h-[1,2,4]Triazol-3-Yl]-Pyridine-2-Carbonitrile
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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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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
ALOGPS 2.1
Acid pKa
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11.055264
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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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1.8074788
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LogD (pH = 7.4)
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1.8172232
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Log P
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1.8174437
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Molar Refractivity
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90.468 cm3
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Polarizability
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26.842375 Å3
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Polar Surface Area
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91.14 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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Log P
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1.47
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LOG S
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-3.5
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Solubility (Water)
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7.79e-02 g/l
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
DrugBank
PATENTS
PATENTS
PubChem Patent
Google Patent