2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C12H19F3N4O2 — CID 103366656

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CC(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C12H19F3N4O2/c1-18(3-4-21-2)10-5-11(20)19(17-7-10)8-9(6-16)12(13,14)15/h5,7,9H,3-4,6,8,16H2,1-2H3
InChIKeyFJSJDCWYOYTJOM-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.46
Rot. Bonds7

About 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 103366656) has the molecular formula C12H19F3N4O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID103366656
Molecular FormulaC12H19F3N4O2
Molecular Weight308.30 g/mol
Exact Mass308.15
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CC(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C12H19F3N4O2/c1-18(3-4-21-2)10-5-11(20)19(17-7-10)8-9(6-16)12(13,14)15/h5,7,9H,3-4,6,8,16H2,1-2H3
InChIKeyFJSJDCWYOYTJOM-UHFFFAOYSA-N
XLogP0.46
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(2-aminoethyl)-4-morpholinyl]-2-(3,3,3-trifluoropropyl)-3(2H)-pyridazinone
CID 56910075
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-[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-[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-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220334
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
5-(2-Aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221290

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 103366656) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(CC(CN)C(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is FJSJDCWYOYTJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2/c1-18(3-4-21-2)10-5-11(20)19(17-7-10)8-9(6-16)12(13,14)15/h5,7,9H,3-4,6,8,16H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 308.30 g/mol, XLogP of 0.46, 7 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-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 103366656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).