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

C11H11N3O2 — CID 106515333

IUPAC4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2cccc(C)c2)[nH]c(=O)n1
InChIInChI=1S/C11H11N3O2/c1-7-4-3-5-8(6-7)9-12-10(15)14-11(13-9)16-2/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyOPFKEDSOXZIVAG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.15
Rot. Bonds2

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

4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one (PubChem CID 106515333) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one
PubChem CID106515333
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2cccc(C)c2)[nH]c(=O)n1
InChIInChI=1S/C11H11N3O2/c1-7-4-3-5-8(6-7)9-12-10(15)14-11(13-9)16-2/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyOPFKEDSOXZIVAG-UHFFFAOYSA-N
XLogP1.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one (CID 106515333) is 4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one is COc1nc(-c2cccc(C)c2)[nH]c(=O)n1.
What is the InChIKey of 4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one?
The InChIKey is OPFKEDSOXZIVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-4-3-5-8(6-7)9-12-10(15)14-11(13-9)16-2/h3-6H,1-2H3,(H,12,13,14,15).
What are the key properties of 4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one?
4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one has a molecular weight of 217.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 106515333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).