2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one

C9H12F3N3O — CID 103366579

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(CN)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-6-2-3-8(16)15(14-6)5-7(4-13)9(10,11)12/h2-3,7H,4-5,13H2,1H3
InChIKeyAVMFANMYABQLGK-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.69
Rot. Bonds3

About 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one (PubChem CID 103366579) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one
PubChem CID103366579
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(CN)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-6-2-3-8(16)15(14-6)5-7(4-13)9(10,11)12/h2-3,7H,4-5,13H2,1H3
InChIKeyAVMFANMYABQLGK-UHFFFAOYSA-N
XLogP0.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-3-(3-methyl-6-oxopyridazin-1-yl)propanethioamide
CID 12787578
3-(3-Methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 12787584
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45893393
2-(2,2-Difluoroethyl)-6-methylpyridazin-3-one
CID 59803335
2,2,2-trifluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]acetamide
CID 133675039
6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
2-(2,2-Difluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 176725895
6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 45794092
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 51166533
1-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 55712911
6-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 62922503

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one (CID 103366579) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(CN)C(F)(F)F)n1.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one?
The InChIKey is AVMFANMYABQLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6-2-3-8(16)15(14-6)5-7(4-13)9(10,11)12/h2-3,7H,4-5,13H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one has a molecular weight of 235.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 103366579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).