3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid

C11H12F3N3O2 — CID 80517006

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-5-17(6-7)9-8(10(18)19)3-4-15-16-9/h3-4,7H,1-2,5-6H2,(H,18,19)
InChIKeyNZZQKCOSYZJLKP-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.95
Rot. Bonds2

About 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid

3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid (PubChem CID 80517006) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid
PubChem CID80517006
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-5-17(6-7)9-8(10(18)19)3-4-15-16-9/h3-4,7H,1-2,5-6H2,(H,18,19)
InChIKeyNZZQKCOSYZJLKP-UHFFFAOYSA-N
XLogP1.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid 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

3-[Methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid
CID 80516572
3-(3,3,3-Trifluoropropylamino)pyridazine-4-carboxylic acid
CID 80516666
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]pyridazine-4-carboxylic acid
CID 80516670
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyridazine-4-carboxylic acid
CID 80516720
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516815
3-[Ethyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516837
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516838
3-[Propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516865
3-[Methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516885
3-[4-(Trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517046
3-(2,2,2-Trifluoroethylamino)pyridazine-4-carboxylic acid
CID 80517660
3-[2-(2,2-Difluoroethoxy)ethylamino]pyridazine-4-carboxylic acid
CID 105922609

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid (CID 80517006) is 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid?
The InChIKey is NZZQKCOSYZJLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-5-17(6-7)9-8(10(18)19)3-4-15-16-9/h3-4,7H,1-2,5-6H2,(H,18,19).
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid?
3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).