2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one

C11H15F3N4O2 — CID 114393531

IUPAC2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one
SMILESNCC(n1ncc(N2CCOCC2)cc1=O)C(F)(F)F
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)9(6-15)18-10(19)5-8(7-16-18)17-1-3-20-4-2-17/h5,7,9H,1-4,6,15H2
InChIKeyOWCVOFNVPJKBNA-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.14
Rot. Bonds3

About 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one

2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114393531) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID114393531
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one
SMILESNCC(n1ncc(N2CCOCC2)cc1=O)C(F)(F)F
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)9(6-15)18-10(19)5-8(7-16-18)17-1-3-20-4-2-17/h5,7,9H,1-4,6,15H2
InChIKeyOWCVOFNVPJKBNA-UHFFFAOYSA-N
XLogP0.14
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2-Aminoethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221265

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one (CID 114393531) is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one is NCC(n1ncc(N2CCOCC2)cc1=O)C(F)(F)F.
What is the InChIKey of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is OWCVOFNVPJKBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c12-11(13,14)9(6-15)18-10(19)5-8(7-16-18)17-1-3-20-4-2-17/h5,7,9H,1-4,6,15H2.
What are the key properties of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one?
2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 292.26 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114393531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).