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

C12H18F3N3 — CID 105156299

IUPAC1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cc(C)nnc1C
InChIInChI=1S/C12H18F3N3/c1-4-16-11(5-6-12(13,14)15)10-7-8(2)17-18-9(10)3/h7,11,16H,4-6H2,1-3H3
InChIKeyDNCCNOSKCJPLLF-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.09
Rot. Bonds5

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

1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (PubChem CID 105156299) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
PubChem CID105156299
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cc(C)nnc1C
InChIInChI=1S/C12H18F3N3/c1-4-16-11(5-6-12(13,14)15)10-7-8(2)17-18-9(10)3/h7,11,16H,4-6H2,1-3H3
InChIKeyDNCCNOSKCJPLLF-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.09
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
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-(2-Ethyl-4-fluoropiperidin-4-yl)pyridazine
CID 89566585
4-[2-[6-Methyl-4-(trifluoromethyl)pyridazin-3-yl]ethyl]-3-azabicyclo[4.1.0]heptane
CID 123295532
(1R,4R,6R)-4-[2-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethyl]-3-azabicyclo[4.1.0]heptane
CID 123667248
1-[5-(1,1-difluoroethyl)-6-(3-fluoro-4-methylphenyl)pyridazin-3-yl]-N-methylethanamine
CID 123984698

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (CID 105156299) is 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is DNCCNOSKCJPLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-4-16-11(5-6-12(13,14)15)10-7-8(2)17-18-9(10)3/h7,11,16H,4-6H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.09, 5 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-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 105156299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).