N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide

C13H11F3N4O — CID 113048912

IUPACN-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H11F3N4O/c1-8(21)17-11-6-7-12(20-19-11)18-10-5-3-2-4-9(10)13(14,15)16/h2-7H,1H3,(H,18,20)(H,17,19,21)
InChIKeyGRTIOBDGJQXDMQ-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.20
Rot. Bonds3

About N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide

N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide (PubChem CID 113048912) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
PubChem CID113048912
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC NameN-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H11F3N4O/c1-8(21)17-11-6-7-12(20-19-11)18-10-5-3-2-4-9(10)13(14,15)16/h2-7H,1H3,(H,18,20)(H,17,19,21)
InChIKeyGRTIOBDGJQXDMQ-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]carbamate
CID 113048941
2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048928
N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
CID 113047134
N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124460
N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047079
N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109119135
morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109114740
2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520710
N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113047094
6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109124777
N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905461
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide (CID 113048912) is N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide is CC(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide?
The InChIKey is GRTIOBDGJQXDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c1-8(21)17-11-6-7-12(20-19-11)18-10-5-3-2-4-9(10)13(14,15)16/h2-7H,1H3,(H,18,20)(H,17,19,21).
What are the key properties of N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide?
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide has a molecular weight of 296.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide is sourced from PubChem (CID 113048912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).