3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one

Name: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one (CAS 165534-43-0) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-01T22:57:27Z
Duration: 3 s
Channel: MolGod Scientific
Description: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one (CAS 165534-43-0) – space-filling 3D model – rotation animation, MolGod Viewer

CAS 165534-43-0 · C₁₁H₁₄N₃O₅P · MW 299.22 g/mol

Full record: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one — Safety Data Sheet →

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

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ENGRAVEDNORMAL

3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one (CAS 165534-43-0), C11H14N3O5P - 3D ball-and-stick molecular model, engraved element symbols (C H N O P), MolGod STL preview

MG_944-373-758-19 · engraved · 442,736 △ · 21 MB · SHA-256 93da956856769d92

Download 3D model: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one, C₁₁H₁₄N₃O₅P, CAS 165534-43-0 · ENGRAVED (C, H, N, O, P) · 21 MB

3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one (CAS 165534-43-0), C11H14N3O5P - 3D ball-and-stick molecular model, MolGod STL preview

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Download 3D model: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one, C₁₁H₁₄N₃O₅P, CAS 165534-43-0 · NORMAL · 724 KB

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About 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one

3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one is a chemical compound registered under number CAS 165534-43-0, with the molecular formula C₁₁H₁₄N₃O₅P, and a molar mass of 299.22 g/mol.

The molecule contains 34 atoms connected by 35 chemical bonds. The full systematic IUPAC name of this compound is diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.1 (positive value, a lipophilic compound), polar surface area PSA = 89.8 Å², 0 donors and 7 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₁₁H₁₄N₃O₅P
Molar mass	299.22 g/mol
IUPAC	diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate
SMILES	`CCOP(=O)(OCC)ON1C(=O)C2=CC=CC=C2N=N1`
InChIKey	`AJDPNPAGZMZOMN-UHFFFAOYSA-N`
logP (XLogP3)	1.1
PSA	89.8 Å²
HBD / HBA	0 / 7
PubChem CID	CID 4293995 ↗

GHS safety

Signal word: Warning

GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 165534-43-0 w PubMed / OpenAlex / Semantic Scholar.

Synonyms

3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one · DEPBT cpd · RefChem:494827 · 628-030-5 · 165534-43-0 · DEPBT · Diethyl (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl) phosphate · diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate · 3-(Diethoxyphosphoryloxy)-1,2,3-benzotrizin-4(3H)-one · C11H14N3O5P · MFCD01236967 · Z4JZE73XNT · Diethyl 3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl Phosphate · Phosphoric acid, diethyl 4-oxo-1,2,3-benzotriazin-3-yl ester · diethyl 4-oxo-1,2,3-benzotriazin-3-yl phosphate

Data sources

📊 PubChem CID 4293995 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Diethyl Phthalate CAS 84-66-2 · C12H14O4 Shared hazard H315 Benomyl (CAS 17804-35-2) CAS 17804-35-2 · C14H18N4O3 Shared hazard H315 2,3-Dihydro-1,4-phthalazinedione CAS 1445-69-8 · C8H6N2O2 Shared hazard H315

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one · 165534-43-0
InChIKey: AJDPNPAGZMZOMN-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one (CAS 165534-43-0)
License & provenance record: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one (CAS 165534-43-0) →
MolGod molecule record: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one →
Source data: PubChem CID 4293995 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): f440f09a98248644dd8572a823bde243eed4ace5dc2b2f700c2ed40a8820524c
MD5 (STL): 0a0e58925543f5cdd388e7dd26760286
MolGod Identification Number: MG_944-373-758-19
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: not published yet

📄 Download 3D model: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one, C₁₁H₁₄N₃O₅P, CAS 165534-43-0 · NORMAL · 724 KB 📄 Download 3D model: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one, C₁₁H₁₄N₃O₅P, CAS 165534-43-0 · ENGRAVED (C, H, N, O, P) · 21 MB

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