2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one

C13H12F3N5O2 — CID 126938686

IUPAC2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one
SMILESO=c1cccnn1C1COCC1Nc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C13H12F3N5O2/c14-13(15,16)10-4-11(18-7-17-10)20-8-5-23-6-9(8)21-12(22)2-1-3-19-21/h1-4,7-9H,5-6H2,(H,17,18,20)
InChIKeyJISNEQIJKPHLEX-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.10
Rot. Bonds3

About 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one

2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one (PubChem CID 126938686) has the molecular formula C13H12F3N5O2 and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one
PubChem CID126938686
Molecular FormulaC13H12F3N5O2
Molecular Weight327.27 g/mol
Exact Mass327.09
IUPAC Name2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one
SMILESO=c1cccnn1C1COCC1Nc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C13H12F3N5O2/c14-13(15,16)10-4-11(18-7-17-10)20-8-5-23-6-9(8)21-12(22)2-1-3-19-21/h1-4,7-9H,5-6H2,(H,17,18,20)
InChIKeyJISNEQIJKPHLEX-UHFFFAOYSA-N
XLogP1.10
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one (CID 126938686) is 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one is O=c1cccnn1C1COCC1Nc1cc(C(F)(F)F)ncn1.
What is the InChIKey of 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one?
The InChIKey is JISNEQIJKPHLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2/c14-13(15,16)10-4-11(18-7-17-10)20-8-5-23-6-9(8)21-12(22)2-1-3-19-21/h1-4,7-9H,5-6H2,(H,17,18,20).
What are the key properties of 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one?
2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one has a molecular weight of 327.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126938686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).