NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-amino-5-(1H-1,3-benzodiazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol
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IUPAC Traditional name
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4-amino-5-(1,3-benzodiazol-1-ylmethyl)-1,2,4-triazole-3-thiol
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Synonyms
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4-Amino-5-(1H-benzimidazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol
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5-((1H-benzo[d]imidazol-1-yl)methyl)-4-amino-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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7.673901
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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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-0.26883548
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LogD (pH = 7.4)
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-0.16964011
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Log P
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0.013756125
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Molar Refractivity
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70.3537 cm3
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Polarizability
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26.131845 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