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915924-57-1 molecular structure
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2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine

ChemBase ID: 307182
Molecular Formular: C9H10N4O
Molecular Mass: 190.2019
Monoisotopic Mass: 190.08546096
SMILES and InChIs

SMILES:
n1c(noc1CCN)c1cnccc1
Canonical SMILES:
NCCc1onc(n1)c1cccnc1
InChI:
InChI=1S/C9H10N4O/c10-4-3-8-12-9(13-14-8)7-2-1-5-11-6-7/h1-2,5-6H,3-4,10H2
InChIKey:
ZSIMAHFYFVMXDZ-UHFFFAOYSA-N

Cite this record

CBID:307182 http://www.chembase.cn/molecule-307182.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine
IUPAC Traditional name
2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
Synonyms
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CAS Number
915924-57-1
MDL Number
MFCD08059871

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6847632  LogD (pH = 7.4) -1.3597536 
Log P 0.40449932  Molar Refractivity 62.4281 cm3
Polarizability 19.95539 Å3 Polar Surface Area 77.83 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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