3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide

C9H11F3N4O — CID 113344409

IUPAC3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide
SMILESCC(CC(N)=O)Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H11F3N4O/c1-5(4-7(13)17)14-8-3-2-6(15-16-8)9(10,11)12/h2-3,5H,4H2,1H3,(H2,13,17)(H,14,16)
InChIKeyAMTLPCYJROKREX-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.17
Rot. Bonds4

About 3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide

3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide (PubChem CID 113344409) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide.

Molecular Properties

Compound Name3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide
PubChem CID113344409
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide
SMILESCC(CC(N)=O)Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H11F3N4O/c1-5(4-7(13)17)14-8-3-2-6(15-16-8)9(10,11)12/h2-3,5H,4H2,1H3,(H2,13,17)(H,14,16)
InChIKeyAMTLPCYJROKREX-UHFFFAOYSA-N
XLogP1.17
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 115875636
3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide
CID 114270159
N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 115875638
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide
CID 114565928
3-[(5-bromo-2-pyridinyl)amino]butanamide
CID 115684979
3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide
CID 133433466
5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
CID 107269138
3-[(5-nitro-2-pyridinyl)amino]butanamide
CID 115647561
3-[2-nitro-4-(trifluoromethyl)anilino]butanamide
CID 115647573
2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine
CID 106142025
3-[(4-bromo-2-pyridinyl)amino]butanamide
CID 130671461
3-[(6-fluoro-3-pyridinyl)amino]butanamide
CID 126988107

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide?
The IUPAC name of 3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide (CID 113344409) is 3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide.
What is the SMILES notation for 3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide?
The canonical SMILES for 3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide is CC(CC(N)=O)Nc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide?
The InChIKey is AMTLPCYJROKREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-5(4-7(13)17)14-8-3-2-6(15-16-8)9(10,11)12/h2-3,5H,4H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide?
3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide has a molecular weight of 248.21 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide is sourced from PubChem (CID 113344409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).