2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one

C15H15F3N6O2 — CID 91631519

IUPAC2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H15F3N6O2/c16-15(17,18)11-8-12(20-10-19-11)22-4-6-23(7-5-22)14(26)9-24-13(25)2-1-3-21-24/h1-3,8,10H,4-7,9H2
InChIKeyIPLDXSNVQAPFIL-UHFFFAOYSA-N
MW368.32 g/mol
LogP0.40
Rot. Bonds3

About 2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 91631519) has the molecular formula C15H15F3N6O2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID91631519
Molecular FormulaC15H15F3N6O2
Molecular Weight368.32 g/mol
Exact Mass368.12
IUPAC Name2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H15F3N6O2/c16-15(17,18)11-8-12(20-10-19-11)22-4-6-23(7-5-22)14(26)9-24-13(25)2-1-3-21-24/h1-3,8,10H,4-7,9H2
InChIKeyIPLDXSNVQAPFIL-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 91631519) is 2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is IPLDXSNVQAPFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2/c16-15(17,18)11-8-12(20-10-19-11)22-4-6-23(7-5-22)14(26)9-24-13(25)2-1-3-21-24/h1-3,8,10H,4-7,9H2.
What are the key properties of 2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 368.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 91631519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).