6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione

C10H9N3O3 — CID 3894789

IUPAC6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione
SMILESCOc1ccc(-c2nc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H9N3O3/c1-16-7-4-2-6(3-5-7)8-11-9(14)13-10(15)12-8/h2-5H,1H3,(H2,11,12,13,14,15)
InChIKeyIITPJBVFLSXNGR-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.13
Rot. Bonds2

About 6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione

6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione (PubChem CID 3894789) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione
PubChem CID3894789
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione
SMILESCOc1ccc(-c2nc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H9N3O3/c1-16-7-4-2-6(3-5-7)8-11-9(14)13-10(15)12-8/h2-5H,1H3,(H2,11,12,13,14,15)
InChIKeyIITPJBVFLSXNGR-UHFFFAOYSA-N
XLogP0.13
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-Methoxyphenyl)methyl)-N',N''-dimethylguanidine
CID 42765
3-(4-methoxyphenyl)-1-methyl-1H-1,2,4-triazol-5-ol
CID 135418922
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl-
CID 3075981
[(4-Methoxyphenyl)methyl]urea
CID 851839
4-(4-Methoxyphenyl)-6-phenyl-2(1H)-pyrimidinone
CID 624070
3-(4-methoxyphenyl)-1,2,4-oxadiazol-5(4H)-one
CID 135476829
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-methoxyphenyl)-
CID 3075983
1-(2-(5-Butyl-1-(4-methoxybenzyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
CID 11950479
3-(4-Ethoxyphenyl)-1,2,4-oxadiazol-5-ol
CID 135519502
3-(4-Phenoxyphenyl)-1,2,4-oxadiazol-5(4H)-one
CID 136228026
1-[(E)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-iodopyrimidine-2,4-dione
CID 145993844
4-(4-Methoxyphenyl)-5-phenyl-1,3-dihydroimidazol-2-one
CID 752418

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione (CID 3894789) is 6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione is COc1ccc(-c2nc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is IITPJBVFLSXNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-7-4-2-6(3-5-7)8-11-9(14)13-10(15)12-8/h2-5H,1H3,(H2,11,12,13,14,15).
What are the key properties of 6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione?
6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 219.20 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 3894789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).