1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone

C18H19F3N4O2 — CID 121060530

IUPAC1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
SMILESCc1ccc(N2CCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C18H19F3N4O2/c1-13-5-6-16(23-22-13)24-7-9-25(10-8-24)17(26)12-27-15-4-2-3-14(11-15)18(19,20)21/h2-6,11H,7-10,12H2,1H3
InChIKeyWBRDKDNXZFKPLE-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.53
Rot. Bonds4

About 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone

1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone (PubChem CID 121060530) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
PubChem CID121060530
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
SMILESCc1ccc(N2CCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C18H19F3N4O2/c1-13-5-6-16(23-22-13)24-7-9-25(10-8-24)17(26)12-27-15-4-2-3-14(11-15)18(19,20)21/h2-6,11H,7-10,12H2,1H3
InChIKeyWBRDKDNXZFKPLE-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone with MolForge

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Related Compounds

1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 122281139
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 70703856
2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 42485311
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16883365
1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 2420338
2-phenoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 3554555
2-(3-methoxyphenoxy)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341561
2-(3-methylphenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058835
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 41162792
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 43992920
1-(1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119415304

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone (CID 121060530) is 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone is Cc1ccc(N2CCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)nn1.
What is the InChIKey of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is WBRDKDNXZFKPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-13-5-6-16(23-22-13)24-7-9-25(10-8-24)17(26)12-27-15-4-2-3-14(11-15)18(19,20)21/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 380.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 121060530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).