NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl]acetic acid
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IUPAC Traditional name
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[5-(pyridin-4-yl)-2H-1,2,4-triazol-3-yl]acetic acid
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Synonyms
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[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]acetic acid
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2-(3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl)acetic acid
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(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetic acid
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CAS Number
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MDL Number
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MFCD11058006
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MFCD11054032
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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
Acid pKa
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3.8510468
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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-1.0853865
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LogD (pH = 7.4)
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-2.5992725
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Log P
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0.37854078
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Molar Refractivity
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62.9585 cm3
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Polarizability
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19.87192 Å3
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Polar Surface Area
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91.76 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Product Information
Bioassay(PubChem)
Partition Coefficient
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-0.048
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Show
data source
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Purity
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95+%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent