5-(4-morpholinyl)-4-sulfanyl-3(2H)-pyridazinone
Basic information
- CAS
21131-07-7- Standard SMILES
O=c1[nH][nH]cc(N2CCOCC2)c1=S- InChIKey
IMDSBVBPWWUMSC-UHFFFAOYSA-N- Molecular formula
- C8H11N3O2S
- Average molar mass
- 213.26 g/mol
- Monoisotopic mass
- 213.05719778
Names & identifiers
- Preferred name
- 5-(4-morpholinyl)-4-sulfanyl-3(2H)-pyridazinone
- IUPAC
- 5-morpholin-4-yl-4-sulfanylidene-1,2-dihydropyridazin-3-one
Names & synonyms
5-(4-morpholinyl)-4-sulfanyl-3(2H)-pyridazinone21131-07-75-morpholin-4-yl-4-sulfanylidene-1,2-dihydropyridazin-3-one4-Mercapto-5-morpholinopyridazin-3(2H)-one4-Mercapto-5-(4-morpholinyl)-3(2H)-pyridazinoneDTXSID101244923SBB094813AP-786/422999265-(Morpholin-4-yl)-4-sulfanylpyridazin-3(2H)-one5-morpholin-4-yl-4-sulfanyl-2-hydropyridazin-3-one
Database identifiers
- CAS
21131-07-7- PubChem CID
- 820665
- DTXSID
DTXSID101244923
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
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Compound notes
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