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

C10H15F3N4O — CID 103366653

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C10H15F3N4O/c1-16(2)8-3-9(18)17(15-5-8)6-7(4-14)10(11,12)13/h3,5,7H,4,6,14H2,1-2H3
InChIKeyZHMNUJXEBZBMFJ-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.45
Rot. Bonds4

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

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 103366653) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID103366653
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C10H15F3N4O/c1-16(2)8-3-9(18)17(15-5-8)6-7(4-14)10(11,12)13/h3,5,7H,4,6,14H2,1-2H3
InChIKeyZHMNUJXEBZBMFJ-UHFFFAOYSA-N
XLogP0.45
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)-3(2H)-pyridazinone
CID 28871573
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
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103366652
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-(diethylamino)pyridazin-3-one
CID 103366658

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one (CID 103366653) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CC(CN)C(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is ZHMNUJXEBZBMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-16(2)8-3-9(18)17(15-5-8)6-7(4-14)10(11,12)13/h3,5,7H,4,6,14H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 264.25 g/mol, XLogP of 0.45, 4 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-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 103366653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).