2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one

C12H19F3N4O — CID 103366658

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C12H19F3N4O/c1-3-18(4-2)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
InChIKeyRXIRJZCSHPSRJE-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.23
Rot. Bonds6

About 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one (PubChem CID 103366658) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one
PubChem CID103366658
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C12H19F3N4O/c1-3-18(4-2)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
InChIKeyRXIRJZCSHPSRJE-UHFFFAOYSA-N
XLogP1.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)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

2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221646
5-(2-Methylpropylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221686
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223469
5-[2-Aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223496
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223681
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103366652
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one
CID 103366653
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-piperidin-1-ylpyridazin-3-one
CID 103366655
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103366656
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103366657
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103366659

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one (CID 103366658) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one is CCN(CC)c1cnn(CC(CN)C(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one?
The InChIKey is RXIRJZCSHPSRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-3-18(4-2)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-(diethylamino)pyridazin-3-one?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one has a molecular weight of 292.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one is sourced from PubChem (CID 103366658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).