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3-methyl-6-{5-[(propylsulfanyl)methyl]-1,2,4-oxadiazol-3-yl}pyridazine

ChemBase ID: 460307
Molecular Formular: C11H14N4OS
Molecular Mass: 250.32006
Monoisotopic Mass: 250.08883209
SMILES and InChIs

SMILES:
c1(nc(on1)CSCCC)c1nnc(cc1)C
Canonical SMILES:
CCCSCc1onc(n1)c1ccc(nn1)C
InChI:
InChI=1S/C11H14N4OS/c1-3-6-17-7-10-12-11(15-16-10)9-5-4-8(2)13-14-9/h4-5H,3,6-7H2,1-2H3
InChIKey:
KLSYEQAORFZDII-UHFFFAOYSA-N

Cite this record

CBID:460307 http://www.chembase.cn/molecule-460307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-6-{5-[(propylsulfanyl)methyl]-1,2,4-oxadiazol-3-yl}pyridazine
IUPAC Traditional name
3-methyl-6-{5-[(propylsulfanyl)methyl]-1,2,4-oxadiazol-3-yl}pyridazine
Synonyms
3-methyl-6-{5-[(propylthio)methyl]-1,2,4-oxadiazol-3-yl}pyridazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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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) 1.8554046  LogD (pH = 7.4) 1.8554218 
Log P 1.855422  Molar Refractivity 80.2538 cm3
Polarizability 26.152786 Å3 Polar Surface Area 64.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.4  LOG S -3.08 
Polar Surface Area 64.7 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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