7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one

C18H15FN4O2 — CID 57411803

IUPAC7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one
SMILESO=C1c2nc(COc3ccccc3)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)22-10-11-23-17(18(22)24)20-16(21-23)12-25-15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKeyIQWRXPKHEWZYCA-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.66
Rot. Bonds4

About 7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one

7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one (PubChem CID 57411803) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one
PubChem CID57411803
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one
SMILESO=C1c2nc(COc3ccccc3)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)22-10-11-23-17(18(22)24)20-16(21-23)12-25-15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKeyIQWRXPKHEWZYCA-UHFFFAOYSA-N
XLogP2.66
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one (CID 57411803) is 7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one is O=C1c2nc(COc3ccccc3)nn2CCN1c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one?
The InChIKey is IQWRXPKHEWZYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)22-10-11-23-17(18(22)24)20-16(21-23)12-25-15-4-2-1-3-5-15/h1-9H,10-12H2.
What are the key properties of 7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one?
7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one has a molecular weight of 338.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 57411803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).