2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione

C18H16FN3O3 — CID 90036953

IUPAC2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(C(F)Cc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C18H16FN3O3/c19-15(11-13-7-3-1-4-8-13)22-18(24)20-16(23)17(21-22)25-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,20,23,24)
InChIKeyXTZKCDCIIGHIJZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.22
Rot. Bonds6

About 2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione

2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione (PubChem CID 90036953) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione
PubChem CID90036953
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(C(F)Cc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C18H16FN3O3/c19-15(11-13-7-3-1-4-8-13)22-18(24)20-16(23)17(21-22)25-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,20,23,24)
InChIKeyXTZKCDCIIGHIJZ-UHFFFAOYSA-N
XLogP2.22
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione (CID 90036953) is 2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione is O=c1[nH]c(=O)n(C(F)Cc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
The InChIKey is XTZKCDCIIGHIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-15(11-13-7-3-1-4-8-13)22-18(24)20-16(23)17(21-22)25-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,20,23,24).
What are the key properties of 2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione?
2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione has a molecular weight of 341.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-phenylethyl)-6-phenylmethoxy-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 90036953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).