2,3-Dihydro-1,4-phthalazinedione

CAS 1445-69-8  ·  C8H6N2O2  ·  MW 162.15 g/mol

Full record: 2,3-Dihydro-1,4-phthalazinedione — Safety Data Sheet →

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3D model 2,3-Dihydro-1,4-phthalazinedione, CAS 1445-69-8, molecular formula C8H6N2O2, molar mass 162.15 g/mol

Model views

  • 2,3-Dihydro-1,4-phthalazinedione (CAS 1445-69-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2,3-Dihydro-1,4-phthalazinedione (CAS 1445-69-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2,3-Dihydro-1,4-phthalazinedione (CAS 1445-69-8) – 2D structure, MolGod Viewer
    2D structure

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About 2,3-Dihydro-1,4-phthalazinedione

2,3-Dihydro-1,4-phthalazinedione is a chemical compound registered under number CAS 1445-69-8, with the molecular formula C8H6N2O2, and a molar mass of 162.15 g/mol.

The molecule contains 18 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 2,3-dihydrophthalazine-1,4-dione. 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 = 0.9 (positive value, a lipophilic compound), polar surface area PSA = 58.2 Ų, 2 donors and 2 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 formulaC8H6N2O2
Molar mass162.15 g/mol
IUPAC2,3-dihydrophthalazine-1,4-dione
SMILESC1=CC=C2C(=C1)C(=O)NNC2=O
InChIKeyKGLPWQKSKUVKMJ-UHFFFAOYSA-N
logP (XLogP3)0.9
PSA58.2 Ų
HBD / HBA2 / 2
PubChem CIDCID 219401 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 1445-69-8 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Phthalhydrazide · 1445-69-8 · 2,3-Dihydrophthalazine-1,4-dione · 2,3-Dihydro-1,4-phthalazinedione · 1,4-Phthalazinedione, 2,3-dihydro- · 1,4-Phthalazinediol · NSC-651 · NSC-201511 · B66L4XR5MR · RefChem:81659 · 2,3-DHPD · DTXCID50819462 · 215-893-4 · Phthalocyclohydrazide · Phthalic Hydrazide
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2,3-Dihydro-1,4-phthalazinedione · 1445-69-8
InChIKey
KGLPWQKSKUVKMJ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2,3-Dihydro-1,4-phthalazinedione (CAS 1445-69-8)
License & provenance record
2,3-Dihydro-1,4-phthalazinedione (CAS 1445-69-8) →
MolGod molecule record
2,3-Dihydro-1,4-phthalazinedione →
Source data
PubChem CID 219401 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
0117f62b4e03e783bc44d611cbc3c0062c7d5565e7ce76383356f8687a2f83e8
MD5 (STL)
bac7915b8f84b74bd8fb38bc6b2f934e
MolGod Identification Number
MG_243-246-904-86
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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