2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one

C15H23F3N4O — CID 99828037

IUPAC2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)N1CCN(CCCn2nc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C15H23F3N4O/c1-12(2)21-10-8-20(9-11-21)6-3-7-22-14(23)5-4-13(19-22)15(16,17)18/h4-5,12H,3,6-11H2,1-2H3
InChIKeyNBINONZXCHCZIC-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.68
Rot. Bonds5

About 2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one

2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 99828037) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID99828037
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)N1CCN(CCCn2nc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C15H23F3N4O/c1-12(2)21-10-8-20(9-11-21)6-3-7-22-14(23)5-4-13(19-22)15(16,17)18/h4-5,12H,3,6-11H2,1-2H3
InChIKeyNBINONZXCHCZIC-UHFFFAOYSA-N
XLogP1.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one (CID 99828037) is 2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one is CC(C)N1CCN(CCCn2nc(C(F)(F)F)ccc2=O)CC1.
What is the InChIKey of 2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is NBINONZXCHCZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-12(2)21-10-8-20(9-11-21)6-3-7-22-14(23)5-4-13(19-22)15(16,17)18/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of 2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one?
2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 332.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 99828037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).