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

C15H12N4O2 — CID 790157

IUPAC6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(N(c2ccccc2)c2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C15H12N4O2/c20-14-16-13(17-15(21)18-14)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,20,21)
InChIKeyRZRVAUVXBBEMOV-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.93
Rot. Bonds3

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

6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione (PubChem CID 790157) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione
PubChem CID790157
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(N(c2ccccc2)c2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C15H12N4O2/c20-14-16-13(17-15(21)18-14)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,20,21)
InChIKeyRZRVAUVXBBEMOV-UHFFFAOYSA-N
XLogP1.93
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione (CID 790157) is 6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione is O=c1nc(N(c2ccccc2)c2ccccc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is RZRVAUVXBBEMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14-16-13(17-15(21)18-14)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,20,21).
What are the key properties of 6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione?
6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 280.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-phenylanilino)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 790157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).