3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid

C9H10F3N3O2 — CID 80516572

IUPAC3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid
SMILESCN(CCC(F)(F)F)c1nnccc1C(=O)O
InChIInChI=1S/C9H10F3N3O2/c1-15(5-3-9(10,11)12)7-6(8(16)17)2-4-13-14-7/h2,4H,3,5H2,1H3,(H,16,17)
InChIKeyJJRUDIDITSHTOX-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.56
Rot. Bonds4

About 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid

3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80516572) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid
PubChem CID80516572
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid
SMILESCN(CCC(F)(F)F)c1nnccc1C(=O)O
InChIInChI=1S/C9H10F3N3O2/c1-15(5-3-9(10,11)12)7-6(8(16)17)2-4-13-14-7/h2,4H,3,5H2,1H3,(H,16,17)
InChIKeyJJRUDIDITSHTOX-UHFFFAOYSA-N
XLogP1.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 175586612
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CID 129453083
CID 129453083
CID 55080329
CID 55080329
CID 80516666
CID 80516666
CID 80516670
CID 80516670
CID 80516720
CID 80516720
CID 80516815
CID 80516815
CID 80516837
CID 80516837
CID 80516838
CID 80516838

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid (CID 80516572) is 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid is CN(CCC(F)(F)F)c1nnccc1C(=O)O.
What is the InChIKey of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is JJRUDIDITSHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-15(5-3-9(10,11)12)7-6(8(16)17)2-4-13-14-7/h2,4H,3,5H2,1H3,(H,16,17).
What are the key properties of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid?
3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).