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3-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

ChemBase ID: 470028
Molecular Formular: C12H14N6O2
Molecular Mass: 274.27856
Monoisotopic Mass: 274.11782372
SMILES and InChIs

SMILES:
n1c(noc1C1CN(C(=O)N)CCC1)c1nnccc1
Canonical SMILES:
NC(=O)N1CCCC(C1)c1onc(n1)c1cccnn1
InChI:
InChI=1S/C12H14N6O2/c13-12(19)18-6-2-3-8(7-18)11-15-10(17-20-11)9-4-1-5-14-16-9/h1,4-5,8H,2-3,6-7H2,(H2,13,19)
InChIKey:
GLPNCOXEWBEOMH-UHFFFAOYSA-N

Cite this record

CBID:470028 http://www.chembase.cn/molecule-470028.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
IUPAC Traditional name
3-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
Synonyms
3-[3-(3-pyridazinyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide

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)
Acid pKa 15.004208  H Acceptors
H Donor LogD (pH = 5.5) -0.0125861745 
LogD (pH = 7.4) -0.012584414  Log P -0.0125843845 
Molar Refractivity 82.3805 cm3 Polarizability 26.696606 Å3
Polar Surface Area 111.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.96  LOG S -1.69 
Polar Surface Area 111.03 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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