1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione

C15H11N3O3 — CID 154294486

IUPAC1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione
SMILESO=c1ncn(-c2ccc(Oc3ccccc3)cc2)c(=O)[nH]1
InChIInChI=1S/C15H11N3O3/c19-14-16-10-18(15(20)17-14)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-10H,(H,17,19,20)
InChIKeyHABDMYRPNMADFM-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.71
Rot. Bonds3

About 1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione

1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione (PubChem CID 154294486) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione
PubChem CID154294486
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione
SMILESO=c1ncn(-c2ccc(Oc3ccccc3)cc2)c(=O)[nH]1
InChIInChI=1S/C15H11N3O3/c19-14-16-10-18(15(20)17-14)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-10H,(H,17,19,20)
InChIKeyHABDMYRPNMADFM-UHFFFAOYSA-N
XLogP1.71
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[4-[4-[[4-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]methyl]piperidin-1-yl]phenyl]pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione (CID 154294486) is 1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione is O=c1ncn(-c2ccc(Oc3ccccc3)cc2)c(=O)[nH]1.
What is the InChIKey of 1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione?
The InChIKey is HABDMYRPNMADFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-14-16-10-18(15(20)17-14)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-10H,(H,17,19,20).
What are the key properties of 1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione?
1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione has a molecular weight of 281.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 154294486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).