2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione

C17H24FN3O3Si — CID 158489389

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione
SMILESCC(C)(C)[Si](C)(C)OCCn1ncc(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H24FN3O3Si/c1-17(2,3)25(4,5)24-11-10-20-16(23)21(15(22)12-19-20)14-8-6-13(18)7-9-14/h6-9,12H,10-11H2,1-5H3
InChIKeyHIMUWCWRVPGGQG-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione (PubChem CID 158489389) has the molecular formula C17H24FN3O3Si and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione
PubChem CID158489389
Molecular FormulaC17H24FN3O3Si
Molecular Weight365.48 g/mol
Exact Mass365.16
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione
SMILESCC(C)(C)[Si](C)(C)OCCn1ncc(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H24FN3O3Si/c1-17(2,3)25(4,5)24-11-10-20-16(23)21(15(22)12-19-20)14-8-6-13(18)7-9-14/h6-9,12H,10-11H2,1-5H3
InChIKeyHIMUWCWRVPGGQG-UHFFFAOYSA-N
XLogP2.56
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione (CID 158489389) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione is CC(C)(C)[Si](C)(C)OCCn1ncc(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione?
The InChIKey is HIMUWCWRVPGGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3Si/c1-17(2,3)25(4,5)24-11-10-20-16(23)21(15(22)12-19-20)14-8-6-13(18)7-9-14/h6-9,12H,10-11H2,1-5H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione?
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione has a molecular weight of 365.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-fluorophenyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 158489389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).