Home > Compound List > Compound details
21131-06-6 molecular structure
click picture or here to close

5-(morpholin-4-yl)-2,3-dihydropyridazin-3-one

ChemBase ID: 308356
Molecular Formular: C8H11N3O2
Molecular Mass: 181.19184
Monoisotopic Mass: 181.08512661
SMILES and InChIs

SMILES:
c1c(N2CCOCC2)cn[nH]c1=O
Canonical SMILES:
O=c1[nH]ncc(c1)N1CCOCC1
InChI:
InChI=1S/C8H11N3O2/c12-8-5-7(6-9-10-8)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,10,12)
InChIKey:
ZWPTWKSYFNUPFR-UHFFFAOYSA-N

Cite this record

CBID:308356 http://www.chembase.cn/molecule-308356.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(morpholin-4-yl)-2,3-dihydropyridazin-3-one
IUPAC Traditional name
5-(morpholin-4-yl)-2H-pyridazin-3-one
Synonyms
5-(4-morpholinyl)-3(2H)-pyridazinone
CAS Number
21131-06-6
MDL Number
MFCD20502642

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4029122 external link Add to cart
Data Source Data ID Price
ChemBridge
4029122 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8398578  LogD (pH = 7.4) -0.8402534 
Log P -0.8398501  Molar Refractivity 48.7296 cm3
Polarizability 17.595938 Å3 Polar Surface Area 53.93 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle