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1015846-81-7 molecular structure
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5-(pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one

ChemBase ID: 308510
Molecular Formular: C8H11N3O
Molecular Mass: 165.19244
Monoisotopic Mass: 165.09021199
SMILES and InChIs

SMILES:
c1c(N2CCCC2)cn[nH]c1=O
Canonical SMILES:
O=c1[nH]ncc(c1)N1CCCC1
InChI:
InChI=1S/C8H11N3O/c12-8-5-7(6-9-10-8)11-3-1-2-4-11/h5-6H,1-4H2,(H,10,12)
InChIKey:
RMLQAKYTNNQTME-UHFFFAOYSA-N

Cite this record

CBID:308510 http://www.chembase.cn/molecule-308510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one
IUPAC Traditional name
5-(pyrrolidin-1-yl)-2H-pyridazin-3-one
Synonyms
5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CAS Number
1015846-81-7
MDL Number
MFCD20502667

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4031155 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.21556176  LogD (pH = 7.4) -0.21595544 
Log P -0.21555218  Molar Refractivity 47.1961 cm3
Polarizability 16.861254 Å3 Polar Surface Area 44.7 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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