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1041571-45-2 molecular structure
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methyl({[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl})amine

ChemBase ID: 307155
Molecular Formular: C9H10N4O
Molecular Mass: 190.2019
Monoisotopic Mass: 190.08546096
SMILES and InChIs

SMILES:
n1c(noc1CNC)c1ncccc1
Canonical SMILES:
CNCc1onc(n1)c1ccccn1
InChI:
InChI=1S/C9H10N4O/c1-10-6-8-12-9(13-14-8)7-4-2-3-5-11-7/h2-5,10H,6H2,1H3
InChIKey:
IBQBDXASLVFLIO-UHFFFAOYSA-N

Cite this record

CBID:307155 http://www.chembase.cn/molecule-307155.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl})amine
IUPAC Traditional name
methyl({[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl})amine
Synonyms
N-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CAS Number
1041571-45-2
MDL Number
MFCD09055301

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) -0.90104204  LogD (pH = 7.4) 0.69039816 
Log P 0.99273294  Molar Refractivity 62.1313 cm3
Polarizability 20.040405 Å3 Polar Surface Area 63.84 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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