2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H9F3N4O2 — CID 135818412

IUPAC2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCOC1Nc2nc(C(F)(F)F)cc(=O)n2N1
InChIInChI=1S/C8H9F3N4O2/c1-2-17-7-13-6-12-4(8(9,10)11)3-5(16)15(6)14-7/h3,7,14H,2H2,1H3,(H,12,13)
InChIKeyUJNOWPDXQXKYDI-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.55
Rot. Bonds2

About 2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 135818412) has the molecular formula C8H9F3N4O2 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID135818412
Molecular FormulaC8H9F3N4O2
Molecular Weight250.18 g/mol
Exact Mass250.07
IUPAC Name2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCOC1Nc2nc(C(F)(F)F)cc(=O)n2N1
InChIInChI=1S/C8H9F3N4O2/c1-2-17-7-13-6-12-4(8(9,10)11)3-5(16)15(6)14-7/h3,7,14H,2H2,1H3,(H,12,13)
InChIKeyUJNOWPDXQXKYDI-UHFFFAOYSA-N
XLogP0.55
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 135818412) is 2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCOC1Nc2nc(C(F)(F)F)cc(=O)n2N1.
What is the InChIKey of 2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UJNOWPDXQXKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2/c1-2-17-7-13-6-12-4(8(9,10)11)3-5(16)15(6)14-7/h3,7,14H,2H2,1H3,(H,12,13).
What are the key properties of 2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 250.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135818412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).