5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one

C16H14ClF3N4O2 — CID 32879334

IUPAC5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C16H14ClF3N4O2/c17-13-12(9-21-22-14(13)25)23-5-7-24(8-6-23)15(26)10-3-1-2-4-11(10)16(18,19)20/h1-4,9H,5-8H2,(H,22,25)
InChIKeyQWZCLBOTWJRTBV-UHFFFAOYSA-N
MW386.76 g/mol
LogP2.40
Rot. Bonds2

About 5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 32879334) has the molecular formula C16H14ClF3N4O2 and a molecular weight of 386.76 g/mol. Its IUPAC name is 5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID32879334
Molecular FormulaC16H14ClF3N4O2
Molecular Weight386.76 g/mol
Exact Mass386.08
IUPAC Name5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C16H14ClF3N4O2/c17-13-12(9-21-22-14(13)25)23-5-7-24(8-6-23)15(26)10-3-1-2-4-11(10)16(18,19)20/h1-4,9H,5-8H2,(H,22,25)
InChIKeyQWZCLBOTWJRTBV-UHFFFAOYSA-N
XLogP2.40
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 32879334) is 5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one is O=C(c1ccccc1C(F)(F)F)N1CCN(c2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is QWZCLBOTWJRTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O2/c17-13-12(9-21-22-14(13)25)23-5-7-24(8-6-23)15(26)10-3-1-2-4-11(10)16(18,19)20/h1-4,9H,5-8H2,(H,22,25).
What are the key properties of 5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 386.76 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 32879334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).