5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one

C15H13ClF3N5O2 — CID 138484037

IUPAC5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1cccnc1C(F)(F)F
InChIInChI=1S/C15H13ClF3N5O2/c16-12-10(6-21-22-14(12)26)23-4-5-24(11(25)8-23)7-9-2-1-3-20-13(9)15(17,18)19/h1-3,6H,4-5,7-8H2,(H,22,26)
InChIKeyGIRIFGFIERVBPX-UHFFFAOYSA-N
MW387.75 g/mol
LogP1.69
Rot. Bonds3

About 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138484037) has the molecular formula C15H13ClF3N5O2 and a molecular weight of 387.75 g/mol. Its IUPAC name is 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138484037
Molecular FormulaC15H13ClF3N5O2
Molecular Weight387.75 g/mol
Exact Mass387.07
IUPAC Name5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1cccnc1C(F)(F)F
InChIInChI=1S/C15H13ClF3N5O2/c16-12-10(6-21-22-14(12)26)23-4-5-24(11(25)8-23)7-9-2-1-3-20-13(9)15(17,18)19/h1-3,6H,4-5,7-8H2,(H,22,26)
InChIKeyGIRIFGFIERVBPX-UHFFFAOYSA-N
XLogP1.69
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138484037) is 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one is O=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1cccnc1C(F)(F)F.
What is the InChIKey of 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is GIRIFGFIERVBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N5O2/c16-12-10(6-21-22-14(12)26)23-4-5-24(11(25)8-23)7-9-2-1-3-20-13(9)15(17,18)19/h1-3,6H,4-5,7-8H2,(H,22,26).
What are the key properties of 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 387.75 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138484037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).