1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine

C13H20F3N3 — CID 105174285

IUPAC1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1cc(C)nnc1C
InChIInChI=1S/C13H20F3N3/c1-4-17-12(6-5-7-13(14,15)16)11-8-9(2)18-19-10(11)3/h8,12,17H,4-7H2,1-3H3
InChIKeyNGIHORCTMAAURD-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.48
Rot. Bonds6

About 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine

1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine (PubChem CID 105174285) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
PubChem CID105174285
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1cc(C)nnc1C
InChIInChI=1S/C13H20F3N3/c1-4-17-12(6-5-7-13(14,15)16)11-8-9(2)18-19-10(11)3/h8,12,17H,4-7H2,1-3H3
InChIKeyNGIHORCTMAAURD-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylethyl)-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155512645
3-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155513179
3-benzyl-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155527636
3-[[3-(trifluoromethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155549312
2-[3,6-Bis(trifluoromethyl)pyridazin-4-yl]-7-azabicyclo[2.2.1]heptane
CID 44368816
2-[3,6-bis(trifluoromethyl)pyridazin-4-yl]-N-methylaniline
CID 13724947
3-(1,1-Difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine
CID 18187498
N'-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethane-1,2-diamine
CID 21698478
N-[[6-(trifluoromethyl)pyridazin-4-yl]methyl]ethanamine
CID 68357587
3-[6-(2,4-Difluorophenyl)pyridazin-3-yl]propan-1-amine
CID 69106470
3-[6-(3,4-Difluorophenyl)pyridazin-3-yl]propan-1-amine
CID 69106663
3-(2-Ethyl-4-fluoropiperidin-4-yl)pyridazine
CID 89566585

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine (CID 105174285) is 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine is CCNC(CCCC(F)(F)F)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The InChIKey is NGIHORCTMAAURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-4-17-12(6-5-7-13(14,15)16)11-8-9(2)18-19-10(11)3/h8,12,17H,4-7H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 105174285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).