6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione

C18H17N3O3 — CID 25199123

IUPAC6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(COCc2ccccc2)nc1Cc1ccccc1
InChIInChI=1S/C18H17N3O3/c22-17-16(11-14-7-3-1-4-8-14)20-21(18(23)19-17)13-24-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,22,23)
InChIKeyURPYLJOFTHJLTF-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.70
Rot. Bonds6

About 6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione

6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione (PubChem CID 25199123) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione
PubChem CID25199123
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(COCc2ccccc2)nc1Cc1ccccc1
InChIInChI=1S/C18H17N3O3/c22-17-16(11-14-7-3-1-4-8-14)20-21(18(23)19-17)13-24-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,22,23)
InChIKeyURPYLJOFTHJLTF-UHFFFAOYSA-N
XLogP1.70
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-2-(phenylmethoxymethyl)-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-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione (CID 25199123) is 6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione is O=c1[nH]c(=O)n(COCc2ccccc2)nc1Cc1ccccc1.
What is the InChIKey of 6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione?
The InChIKey is URPYLJOFTHJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-17-16(11-14-7-3-1-4-8-14)20-21(18(23)19-17)13-24-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,22,23).
What are the key properties of 6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione?
6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione has a molecular weight of 323.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 25199123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).