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dimethyl[(1-{1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1H-1,2,3-triazol-4-yl)methyl]amine

ChemBase ID: 470777
Molecular Formular: C18H24N8O
Molecular Mass: 368.43616
Monoisotopic Mass: 368.20730743
SMILES and InChIs

SMILES:
n1n(cc(n1)CN(C)C)C1CCN(c2cc(c3nc(no3)C)ccn2)CC1
Canonical SMILES:
CN(Cc1nnn(c1)C1CCN(CC1)c1nccc(c1)c1onc(n1)C)C
InChI:
InChI=1S/C18H24N8O/c1-13-20-18(27-22-13)14-4-7-19-17(10-14)25-8-5-16(6-9-25)26-12-15(21-23-26)11-24(2)3/h4,7,10,12,16H,5-6,8-9,11H2,1-3H3
InChIKey:
PIGSWQVBEUFICC-UHFFFAOYSA-N

Cite this record

CBID:470777 http://www.chembase.cn/molecule-470777.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl[(1-{1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1H-1,2,3-triazol-4-yl)methyl]amine
IUPAC Traditional name
dimethyl[(1-{1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1,2,3-triazol-4-yl)methyl]amine
Synonyms
N,N-dimethyl-1-(1-{1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidin-4-yl}-1H-1,2,3-triazol-4-yl)methanamine

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 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.3161274  LogD (pH = 7.4) 1.5974609 
Log P 1.7104739  Molar Refractivity 125.7872 cm3
Polarizability 38.71471 Å3 Polar Surface Area 89.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.4  LOG S -1.22 
Polar Surface Area 89.0 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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