4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one

C14H11N3O2 — CID 106513986

IUPAC4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2cccc3ccccc23)[nH]c(=O)n1
InChIInChI=1S/C14H11N3O2/c1-19-14-16-12(15-13(18)17-14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,15,16,17,18)
InChIKeyGRDVKXOZAXJMLC-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.99
Rot. Bonds2

About 4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one

4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one (PubChem CID 106513986) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one
PubChem CID106513986
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2cccc3ccccc23)[nH]c(=O)n1
InChIInChI=1S/C14H11N3O2/c1-19-14-16-12(15-13(18)17-14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,15,16,17,18)
InChIKeyGRDVKXOZAXJMLC-UHFFFAOYSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 106514778
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one
CID 106515333
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106517961
ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
CID 53404405
6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one
CID 135827465
5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691786
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one
CID 70307733
6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106522452
5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one
CID 165352090

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one (CID 106513986) is 4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one is COc1nc(-c2cccc3ccccc23)[nH]c(=O)n1.
What is the InChIKey of 4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one?
The InChIKey is GRDVKXOZAXJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-14-16-12(15-13(18)17-14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,15,16,17,18).
What are the key properties of 4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one?
4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one has a molecular weight of 253.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 106513986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).