5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H9FN4O2 — CID 5307057

IUPAC5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2ccccc2F)nc2nc[nH]n12
InChIInChI=1S/C12H9FN4O2/c13-9-3-1-2-4-10(9)19-6-8-5-11(18)17-12(16-8)14-7-15-17/h1-5,7H,6H2,(H,14,15,16)
InChIKeyBZVAZNASIOOEJQ-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.14
Rot. Bonds3

About 5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 5307057) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID5307057
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC Name5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2ccccc2F)nc2nc[nH]n12
InChIInChI=1S/C12H9FN4O2/c13-9-3-1-2-4-10(9)19-6-8-5-11(18)17-12(16-8)14-7-15-17/h1-5,7H,6H2,(H,14,15,16)
InChIKeyBZVAZNASIOOEJQ-UHFFFAOYSA-N
XLogP1.14
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 5307057) is 5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(COc2ccccc2F)nc2nc[nH]n12.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BZVAZNASIOOEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c13-9-3-1-2-4-10(9)19-6-8-5-11(18)17-12(16-8)14-7-15-17/h1-5,7H,6H2,(H,14,15,16).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 260.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 5307057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).