2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione

C12H13N3O3 — CID 25198978

IUPAC2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione
SMILESCCOCn1nc(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H13N3O3/c1-2-18-8-15-12(17)13-11(16)10(14-15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,16,17)
InChIKeyVSZDTDPHPNHEQE-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.59
Rot. Bonds4

About 2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione

2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione (PubChem CID 25198978) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione
PubChem CID25198978
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione
SMILESCCOCn1nc(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H13N3O3/c1-2-18-8-15-12(17)13-11(16)10(14-15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,16,17)
InChIKeyVSZDTDPHPNHEQE-UHFFFAOYSA-N
XLogP0.59
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(ethoxymethyl)-6-phenyl-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 2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione (CID 25198978) is 2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione is CCOCn1nc(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione?
The InChIKey is VSZDTDPHPNHEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-18-8-15-12(17)13-11(16)10(14-15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,16,17).
What are the key properties of 2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione?
2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione has a molecular weight of 247.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 25198978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).