2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one

C12H17F3N4O2 — CID 103366654

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one
SMILESNCC(Cn1ncc(N2CCOCC2)cc1=O)C(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)9(6-16)8-19-11(20)5-10(7-17-19)18-1-3-21-4-2-18/h5,7,9H,1-4,6,8,16H2
InChIKeyKQIFMCLCGYOZNO-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.22
Rot. Bonds4

About 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 103366654) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID103366654
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one
SMILESNCC(Cn1ncc(N2CCOCC2)cc1=O)C(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)9(6-16)8-19-11(20)5-10(7-17-19)18-1-3-21-4-2-18/h5,7,9H,1-4,6,8,16H2
InChIKeyKQIFMCLCGYOZNO-UHFFFAOYSA-N
XLogP0.22
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.22
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-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
5-(2-Aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221290
5-(2-Methylpropylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221686

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one (CID 103366654) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one is NCC(Cn1ncc(N2CCOCC2)cc1=O)C(F)(F)F.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is KQIFMCLCGYOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c13-12(14,15)9(6-16)8-19-11(20)5-10(7-17-19)18-1-3-21-4-2-18/h5,7,9H,1-4,6,8,16H2.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 306.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 103366654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).