6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione

C24H21N3O3 — CID 90037125

IUPAC6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(CCc2ccc(-c3ccccc3)cc2)nc1OCc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-22-23(30-17-19-7-3-1-4-8-19)26-27(24(29)25-22)16-15-18-11-13-21(14-12-18)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,25,28,29)
InChIKeyNWZOWINSGUVAJM-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.42
Rot. Bonds7

About 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione

6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione (PubChem CID 90037125) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione
PubChem CID90037125
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(CCc2ccc(-c3ccccc3)cc2)nc1OCc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-22-23(30-17-19-7-3-1-4-8-19)26-27(24(29)25-22)16-15-18-11-13-21(14-12-18)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,25,28,29)
InChIKeyNWZOWINSGUVAJM-UHFFFAOYSA-N
XLogP3.42
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione (CID 90037125) is 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione is O=c1[nH]c(=O)n(CCc2ccc(-c3ccccc3)cc2)nc1OCc1ccccc1.
What is the InChIKey of 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione?
The InChIKey is NWZOWINSGUVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22-23(30-17-19-7-3-1-4-8-19)26-27(24(29)25-22)16-15-18-11-13-21(14-12-18)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,25,28,29).
What are the key properties of 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione?
6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione has a molecular weight of 399.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 90037125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).