5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one

C11H17F3N4O2 — CID 103223513

IUPAC5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESCN(CCN)c1cnn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C11H17F3N4O2/c1-17(3-2-15)9-6-10(19)18(16-7-9)4-5-20-8-11(12,13)14/h6-7H,2-5,8,15H2,1H3
InChIKeyZVHOMJSQDVUFNC-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.22
Rot. Bonds7

About 5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (PubChem CID 103223513) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
PubChem CID103223513
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESCN(CCN)c1cnn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C11H17F3N4O2/c1-17(3-2-15)9-6-10(19)18(16-7-9)4-5-20-8-11(12,13)14/h6-7H,2-5,8,15H2,1H3
InChIKeyZVHOMJSQDVUFNC-UHFFFAOYSA-N
XLogP0.22
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.22
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-(Methylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103218742
5-(Ethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219178
5-(Ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219215
5-(Propan-2-ylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219562
5-(Propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219592

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (CID 103223513) is 5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is CN(CCN)c1cnn(CCOCC(F)(F)F)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The InChIKey is ZVHOMJSQDVUFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-17(3-2-15)9-6-10(19)18(16-7-9)4-5-20-8-11(12,13)14/h6-7H,2-5,8,15H2,1H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one has a molecular weight of 294.28 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103223513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).