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N-butyl-4H-imidazo[4,5-b]pyridin-2-amine
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ChemBase ID:
128865
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Molecular Formular:
C10H14N4
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Molecular Mass:
190.24496
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Monoisotopic Mass:
190.12184647
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SMILES and InChIs
SMILES:
c1c[nH]c2nc(nc2c1)NCCCC
Canonical SMILES:
CCCCNc1nc2c(n1)ccc[nH]2
InChI:
InChI=1S/C10H14N4/c1-2-3-6-12-10-13-8-5-4-7-11-9(8)14-10/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13,14)
InChIKey:
YBYKVVMDXOACKR-UHFFFAOYSA-N
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Cite this record
CBID:128865 http://www.chembase.cn/molecule-128865.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-butyl-4H-imidazo[4,5-b]pyridin-2-amine
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IUPAC Traditional name
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N-butyl-4H-imidazo[4,5-b]pyridin-2-amine
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Synonyms
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CAS Number
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PubChem SID
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PubChem CID
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Wikipedia Title
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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
Acid pKa
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8.790907
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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2.377059
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LogD (pH = 7.4)
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2.3606236
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Log P
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2.377273
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Molar Refractivity
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57.4028 cm3
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Polarizability
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21.583187 Å3
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Polar Surface Area
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53.6 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent