propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate

C20H19N3O3 — CID 6499868

IUPACpropan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate
SMILESCC(C)OC(=O)Cn1c(-c2ccccc2)c(-c2ccccc2)nnc1=O
InChIInChI=1S/C20H19N3O3/c1-14(2)26-17(24)13-23-19(16-11-7-4-8-12-16)18(21-22-20(23)25)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyOGXZGEKHJSWWNX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.92
Rot. Bonds5

About propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate

propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate (PubChem CID 6499868) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate
PubChem CID6499868
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namepropan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate
SMILESCC(C)OC(=O)Cn1c(-c2ccccc2)c(-c2ccccc2)nnc1=O
InChIInChI=1S/C20H19N3O3/c1-14(2)26-17(24)13-23-19(16-11-7-4-8-12-16)18(21-22-20(23)25)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyOGXZGEKHJSWWNX-UHFFFAOYSA-N
XLogP2.92
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate 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 propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate (CID 6499868) is propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate is CC(C)OC(=O)Cn1c(-c2ccccc2)c(-c2ccccc2)nnc1=O.
What is the InChIKey of propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate?
The InChIKey is OGXZGEKHJSWWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(2)26-17(24)13-23-19(16-11-7-4-8-12-16)18(21-22-20(23)25)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3.
What are the key properties of propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate?
propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate has a molecular weight of 349.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-4-yl)acetate is sourced from PubChem (CID 6499868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).