N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C16H17F3N4O — CID 109124460

IUPACN,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H17F3N4O/c1-3-23(4-2)15(24)13-9-10-14(22-21-13)20-12-8-6-5-7-11(12)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,22)
InChIKeyDABUDYQXXSGSLV-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.72
Rot. Bonds5

About N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109124460) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109124460
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H17F3N4O/c1-3-23(4-2)15(24)13-9-10-14(22-21-13)20-12-8-6-5-7-11(12)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,22)
InChIKeyDABUDYQXXSGSLV-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

N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109124434
N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109119135
6-(2-ethoxyanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124452
N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124462
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048912
6-(2-ethylanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126232
methyl N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]carbamate
CID 113048941
morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109114740
N,N-dipropyl-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109161899
N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 62179220
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109124460) is N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is DABUDYQXXSGSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-3-23(4-2)15(24)13-9-10-14(22-21-13)20-12-8-6-5-7-11(12)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N,N-diethyl-6-[2-(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-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109124460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).