2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one

C16H14F3N5O3 — CID 139023048

About 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 139023048) has the molecular formula C16H14F3N5O3 and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
• PubChem CID: 139023048
• Molecular Formula: C16H14F3N5O3
• Molecular Weight: 381.31 g/mol
• Exact Mass: 381.10
• IUPAC Name: 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
• SMILES: O=C(Cn1ncccc1=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
• InChI: InChI=1S/C16H14F3N5O3/c17-16(18,19)12-8-11(3-5-20-12)23-7-6-22(9-15(23)27)14(26)10-24-13(25)2-1-4-21-24/h1-5,8H,6-7,9-10H2
• InChIKey: RECFEGRWMSPQLC-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 88.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.31
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?

The IUPAC name of 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 139023048) is 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one.

What is the SMILES notation for 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?

The canonical SMILES for 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1.

What is the InChIKey of 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?

The InChIKey is RECFEGRWMSPQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O3/c17-16(18,19)12-8-11(3-5-20-12)23-7-6-22(9-15(23)27)14(26)10-24-13(25)2-1-4-21-24/h1-5,8H,6-7,9-10H2.

What are the key properties of 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?

2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 381.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 139023048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).