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5-(dimethylamino)-2-[2-(morpholin-4-yl)ethyl]-2,3-dihydropyridazin-3-one

ChemBase ID: 340318
Molecular Formular: C12H20N4O2
Molecular Mass: 252.3128
Monoisotopic Mass: 252.1586259
SMILES and InChIs

SMILES:
c1c(=O)n(ncc1N(C)C)CCN1CCOCC1
Canonical SMILES:
CN(c1cnn(c(=O)c1)CCN1CCOCC1)C
InChI:
InChI=1S/C12H20N4O2/c1-14(2)11-9-12(17)16(13-10-11)4-3-15-5-7-18-8-6-15/h9-10H,3-8H2,1-2H3
InChIKey:
VEFRQAJBHSQDNS-UHFFFAOYSA-N

Cite this record

CBID:340318 http://www.chembase.cn/molecule-340318.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(dimethylamino)-2-[2-(morpholin-4-yl)ethyl]-2,3-dihydropyridazin-3-one
IUPAC Traditional name
5-(dimethylamino)-2-[2-(morpholin-4-yl)ethyl]pyridazin-3-one
Synonyms
5-(dimethylamino)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone

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) -1.2508084  LogD (pH = 7.4) -0.61627954 
Log P -0.59752953  Molar Refractivity 71.6454 cm3
Polarizability 26.447653 Å3 Polar Surface Area 48.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.4  LOG S -2.01 
Polar Surface Area 50.6 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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