3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid

C10H12F3N3O2 — CID 80516815

IUPAC3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)c1nnccc1C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-6(2)16(5-10(11,12)13)8-7(9(17)18)3-4-14-15-8/h3-4,6H,5H2,1-2H3,(H,17,18)
InChIKeyMEKWRSLTHKDEMQ-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.95
Rot. Bonds4

About 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid

3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80516815) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
PubChem CID80516815
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)c1nnccc1C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-6(2)16(5-10(11,12)13)8-7(9(17)18)3-4-14-15-8/h3-4,6H,5H2,1-2H3,(H,17,18)
InChIKeyMEKWRSLTHKDEMQ-UHFFFAOYSA-N
XLogP1.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Pyridazin-3-yl-4-(trifluoromethyl)pyrrole-3-carboxylic acid
CID 55080329
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-[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-[3-(Trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517006
3-[4-(Trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517046
3-[3-(Trifluoromethyl)pyrazol-1-yl]pyridazine-4-carboxylic acid
CID 80517154

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid (CID 80516815) is 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid is CC(C)N(CC(F)(F)F)c1nnccc1C(=O)O.
What is the InChIKey of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is MEKWRSLTHKDEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-6(2)16(5-10(11,12)13)8-7(9(17)18)3-4-14-15-8/h3-4,6H,5H2,1-2H3,(H,17,18).
What are the key properties of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).