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

C18H14N4O2 — CID 1266350

IUPAC2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nc(COc3ccccc3)[nH]n12
InChIInChI=1S/C18H14N4O2/c23-17-11-15(13-7-3-1-4-8-13)19-18-20-16(21-22(17)18)12-24-14-9-5-2-6-10-14/h1-11H,12H2,(H,19,20,21)
InChIKeyNMEKLROMJSHORP-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.66
Rot. Bonds4

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

2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1266350) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1266350
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nc(COc3ccccc3)[nH]n12
InChIInChI=1S/C18H14N4O2/c23-17-11-15(13-7-3-1-4-8-13)19-18-20-16(21-22(17)18)12-24-14-9-5-2-6-10-14/h1-11H,12H2,(H,19,20,21)
InChIKeyNMEKLROMJSHORP-UHFFFAOYSA-N
XLogP2.66
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1266350) is 2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2nc(COc3ccccc3)[nH]n12.
What is the InChIKey of 2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NMEKLROMJSHORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17-11-15(13-7-3-1-4-8-13)19-18-20-16(21-22(17)18)12-24-14-9-5-2-6-10-14/h1-11H,12H2,(H,19,20,21).
What are the key properties of 2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 318.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1266350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).