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

C11H17F3N4O — CID 103366657

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C11H17F3N4O/c1-3-17(2)9-4-10(19)18(16-6-9)7-8(5-15)11(12,13)14/h4,6,8H,3,5,7,15H2,1-2H3
InChIKeyHQXWWVOINJIVCW-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.84
Rot. Bonds5

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

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 103366657) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID103366657
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C11H17F3N4O/c1-3-17(2)9-4-10(19)18(16-6-9)7-8(5-15)11(12,13)14/h4,6,8H,3,5,7,15H2,1-2H3
InChIKeyHQXWWVOINJIVCW-UHFFFAOYSA-N
XLogP0.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(diethylamino)pyridazin-3-one
CID 103366658
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-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 103366657) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CC(CN)C(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is HQXWWVOINJIVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-17(2)9-4-10(19)18(16-6-9)7-8(5-15)11(12,13)14/h4,6,8H,3,5,7,15H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 278.28 g/mol, XLogP of 0.84, 5 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-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 103366657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).