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876710-85-9 molecular structure
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1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine

ChemBase ID: 307164
Molecular Formular: C9H10N4O
Molecular Mass: 190.2019
Monoisotopic Mass: 190.08546096
SMILES and InChIs

SMILES:
n1c(noc1C(N)C)c1cnccc1
Canonical SMILES:
CC(c1onc(n1)c1cccnc1)N
InChI:
InChI=1S/C9H10N4O/c1-6(10)9-12-8(13-14-9)7-3-2-4-11-5-7/h2-6H,10H2,1H3
InChIKey:
SKYPROWPCJGPQF-UHFFFAOYSA-N

Cite this record

CBID:307164 http://www.chembase.cn/molecule-307164.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine
IUPAC Traditional name
1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
Synonyms
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CAS Number
876710-85-9
MDL Number
MFCD07643183

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0973263  LogD (pH = 7.4) 0.46551505 
Log P 0.7382148  Molar Refractivity 62.2226 cm3
Polarizability 20.03224 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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