5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one

C12H17F3N4O2 — CID 114397510

IUPAC5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CCNCC(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)9-16-1-2-19-11(20)7-10(8-17-19)18-3-5-21-6-4-18/h7-8,16H,1-6,9H2
InChIKeyGIYUUAODHOLCGA-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.23
Rot. Bonds5

About 5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one

5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one (PubChem CID 114397510) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
PubChem CID114397510
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CCNCC(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)9-16-1-2-19-11(20)7-10(8-17-19)18-3-5-21-6-4-18/h7-8,16H,1-6,9H2
InChIKeyGIYUUAODHOLCGA-UHFFFAOYSA-N
XLogP0.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56885431
5-[2-(2-aminoethyl)-4-morpholinyl]-2-(3,3,3-trifluoropropyl)-3(2H)-pyridazinone
CID 56910075
3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95709508
3,3,3-trifluoro-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95709509
5-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725139
5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725140
5-Amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103218426
5-(Ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219215
5-(Propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219592
5-(Cyclopropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220020
5-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
5-(Cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220720

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one (CID 114397510) is 5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one is O=c1cc(N2CCOCC2)cnn1CCNCC(F)(F)F.
What is the InChIKey of 5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
The InChIKey is GIYUUAODHOLCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c13-12(14,15)9-16-1-2-19-11(20)7-10(8-17-19)18-3-5-21-6-4-18/h7-8,16H,1-6,9H2.
What are the key properties of 5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one has a molecular weight of 306.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114397510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).