1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine

C11H16F3N3 — CID 105156324

IUPAC1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1cc(C)nnc1C
InChIInChI=1S/C11H16F3N3/c1-7-6-9(8(2)17-16-7)10(15-3)4-5-11(12,13)14/h6,10,15H,4-5H2,1-3H3
InChIKeyCUIKXLQXNIGVBZ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.70
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine

1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine (PubChem CID 105156324) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
PubChem CID105156324
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1cc(C)nnc1C
InChIInChI=1S/C11H16F3N3/c1-7-6-9(8(2)17-16-7)10(15-3)4-5-11(12,13)14/h6,10,15H,4-5H2,1-3H3
InChIKeyCUIKXLQXNIGVBZ-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]-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
4-(1,1-Difluoroethyl)-3,6-dimethylpyridazine
CID 117864780
4-[2-[6-Methyl-4-(trifluoromethyl)pyridazin-3-yl]ethyl]-3-azabicyclo[4.1.0]heptane
CID 123295532

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine (CID 105156324) is 1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine is CNC(CCC(F)(F)F)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The InChIKey is CUIKXLQXNIGVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7-6-9(8(2)17-16-7)10(15-3)4-5-11(12,13)14/h6,10,15H,4-5H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 2.70, 4 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)-4,4,4-trifluoro-N-methylbutan-1-amine is sourced from PubChem (CID 105156324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).