cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone

C15H19F3N4O — CID 133433606

IUPACcyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)12-5-6-13(20-19-12)21-7-9-22(10-8-21)14(23)11-3-1-2-4-11/h5-6,11H,1-4,7-10H2
InChIKeyWQBLQBHWHFVTBQ-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.33
Rot. Bonds2

About cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone

cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 133433606) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID133433606
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Namecyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)12-5-6-13(20-19-12)21-7-9-22(10-8-21)14(23)11-3-1-2-4-11/h5-6,11H,1-4,7-10H2
InChIKeyWQBLQBHWHFVTBQ-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336576
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide
CID 155701537
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 133419570
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 133418255
2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 133433624
2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161643
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 133433606) is cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is WQBLQBHWHFVTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c16-15(17,18)12-5-6-13(20-19-12)21-7-9-22(10-8-21)14(23)11-3-1-2-4-11/h5-6,11H,1-4,7-10H2.
What are the key properties of cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone?
cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 328.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 133433606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).