N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C16H17F3N4O — CID 109124462

IUPACN,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C16H17F3N4O/c1-3-23(4-2)15(24)13-9-10-14(22-21-13)20-12-7-5-11(6-8-12)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,22)
InChIKeyWDZFEIKBMHKIRW-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.72
Rot. Bonds5

About N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109124462) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109124462
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C16H17F3N4O/c1-3-23(4-2)15(24)13-9-10-14(22-21-13)20-12-7-5-11(6-8-12)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,22)
InChIKeyWDZFEIKBMHKIRW-UHFFFAOYSA-N
XLogP3.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466
N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124460
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126267
N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109124434
6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126266
N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 62179220
azepan-1-yl-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109126497
methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109124468

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109124462) is N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is WDZFEIKBMHKIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-3-23(4-2)15(24)13-9-10-14(22-21-13)20-12-7-5-11(6-8-12)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109124462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).