6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one

C11H10FN3O3 — CID 106520509

IUPAC6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2cccc(OC)c2F)[nH]c(=O)n1
InChIInChI=1S/C11H10FN3O3/c1-17-7-5-3-4-6(8(7)12)9-13-10(16)15-11(14-9)18-2/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeySRUYYYILAFQLBI-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.99
Rot. Bonds3

About 6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one

6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one (PubChem CID 106520509) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
PubChem CID106520509
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2cccc(OC)c2F)[nH]c(=O)n1
InChIInChI=1S/C11H10FN3O3/c1-17-7-5-3-4-6(8(7)12)9-13-10(16)15-11(14-9)18-2/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeySRUYYYILAFQLBI-UHFFFAOYSA-N
XLogP0.99
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one (CID 106520509) is 6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one is COc1nc(-c2cccc(OC)c2F)[nH]c(=O)n1.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The InChIKey is SRUYYYILAFQLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-17-7-5-3-4-6(8(7)12)9-13-10(16)15-11(14-9)18-2/h3-5H,1-2H3,(H,13,14,15,16).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one has a molecular weight of 251.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)-4-methoxy-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 106520509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).