2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C11H17F3N4O2 — CID 114393556

IUPAC2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(C(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C11H17F3N4O2/c1-17(3-4-20-2)8-5-10(19)18(16-7-8)9(6-15)11(12,13)14/h5,7,9H,3-4,6,15H2,1-2H3
InChIKeyGSLDRKQILPCTQU-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.39
Rot. Bonds6

About 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 114393556) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID114393556
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(C(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C11H17F3N4O2/c1-17(3-4-20-2)8-5-10(19)18(16-7-8)9(6-15)11(12,13)14/h5,7,9H,3-4,6,15H2,1-2H3
InChIKeyGSLDRKQILPCTQU-UHFFFAOYSA-N
XLogP0.39
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 114393556) is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(C(CN)C(F)(F)F)c(=O)c1.
What is the InChIKey of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is GSLDRKQILPCTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-17(3-4-20-2)8-5-10(19)18(16-7-8)9(6-15)11(12,13)14/h5,7,9H,3-4,6,15H2,1-2H3.
What are the key properties of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 294.28 g/mol, XLogP of 0.39, 6 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-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).