NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-amino-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
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IUPAC Traditional name
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4-amino-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-triazole-3-thiol
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Synonyms
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4-Amino-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
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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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7.5204887
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-0.74400306
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LogD (pH = 7.4)
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-0.97021776
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Log P
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-0.7373866
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Molar Refractivity
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75.1911 cm3
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Polarizability
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22.199364 Å3
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Polar Surface Area
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74.55 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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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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IRRITANT
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Show
data source
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MSDS Link
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PATENTS
PATENTS
PubChem Patent
Google Patent