2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine

C11H17F3N4 — CID 106142025

IUPAC2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine
SMILESCC(C)(CCN)CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C11H17F3N4/c1-10(2,5-6-15)7-16-9-4-3-8(17-18-9)11(12,13)14/h3-4H,5-7,15H2,1-2H3,(H,16,18)
InChIKeyCMPGBBOMMPJLOO-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.28
Rot. Bonds5

About 2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine

2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine (PubChem CID 106142025) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine
PubChem CID106142025
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine
SMILESCC(C)(CCN)CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C11H17F3N4/c1-10(2,5-6-15)7-16-9-4-3-8(17-18-9)11(12,13)14/h3-4H,5-7,15H2,1-2H3,(H,16,18)
InChIKeyCMPGBBOMMPJLOO-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
CID 103880439
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 114759127
N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142088
N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103525202
N'-(6-tert-butylpyridazin-3-yl)ethane-1,2-diamine
CID 84665671
N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
CID 115978081
N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 138043417
2-(4-bromophenyl)-1-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol
CID 133420290
3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide
CID 113344409
N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 113344350
4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 106842692
N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 115875636

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine (CID 106142025) is 2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine is CC(C)(CCN)CNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine?
The InChIKey is CMPGBBOMMPJLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-10(2,5-6-15)7-16-9-4-3-8(17-18-9)11(12,13)14/h3-4H,5-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine?
2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine is sourced from PubChem (CID 106142025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).