N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C15H15F3N4O — CID 109109734

IUPACN-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C15H15F3N4O/c1-9(2)19-14(23)12-6-7-13(22-21-12)20-11-5-3-4-10(8-11)15(16,17)18/h3-9H,1-2H3,(H,19,23)(H,20,22)
InChIKeyXKQMOMOBKHHATD-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.38
Rot. Bonds4

About N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109109734) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109109734
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C15H15F3N4O/c1-9(2)19-14(23)12-6-7-13(22-21-12)20-11-5-3-4-10(8-11)15(16,17)18/h3-9H,1-2H3,(H,19,23)(H,20,22)
InChIKeyXKQMOMOBKHHATD-UHFFFAOYSA-N
XLogP3.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109129753
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891
6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109787
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109115094

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109109734) is N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is CC(C)NC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is XKQMOMOBKHHATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-9(2)19-14(23)12-6-7-13(22-21-12)20-11-5-3-4-10(8-11)15(16,17)18/h3-9H,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 324.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109109734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).