5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one

Name: 5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one (CAS 1003-35-6) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-10-27T12:19:15Z
Duration: 3 s
Channel: MolGod Scientific
Description: 5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one (CAS 1003-35-6) – space-filling 3D model – rotation animation, MolGod Viewer

CAS 1003-35-6 · C₂H₄N₄O · MW 100.08 g/mol

Model views

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

About 5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one

5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one is a chemical compound registered under number CAS 1003-35-6, with the molecular formula C₂H₄N₄O, and a molar mass of 100.08 g/mol.

The molecule contains 11 atoms connected by 11 chemical bonds. The full systematic IUPAC name of this compound is 3-amino-1,4-dihydro-1,2,4-triazol-5-one. 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 = -1.4 (negative value, a hydrophilic compound), polar surface area PSA = 79.5 Å², 3 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 formula	C₂H₄N₄O
Molar mass	100.08 g/mol
IUPAC	3-amino-1,4-dihydro-1,2,4-triazol-5-one
SMILES	`C1(=NNC(=O)N1)N`
InChIKey	`XOHBRLLZSIGHDE-UHFFFAOYSA-N`
logP (XLogP3)	-1.4
PSA	79.5 Å²
HBD / HBA	3 / 2
PubChem CID	CID 135481969 ↗

GHS safety

Signal word: Warning

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 1003-35-6 w PubMed / OpenAlex / Semantic Scholar.

Synonyms

1003-35-6 · 3-amino-4,5-dihydro-1H-1,2,4-triazol-5-one · 5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one · RefChem:531933 · DTXCID10251849 · 824-942-4 · 5-Amino-1H-1,2,4-triazol-3(2H)-one · 5-amino-1,2-dihydro-1,2,4-triazol-3-one · 5-Amino-2,4-dihydro-[1,2,4]triazol-3-one · 5-amino-2,4-dihydro-3H-1,2,4-triazol-3-one · 3H-1,2,4-Triazol-3-one, 5-amino-1,2-dihydro- · MFCD23140949 · 3-Amino-1H-1,2,4-triazol-5(4H)-one · NSC138436 · 3-amino-1,4-dihydro-1,2,4-triazol-5-one

Data sources

📊 PubChem CID 135481969 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Sodium (CAS 7440-23-5) CAS 7440-23-5 · Na 1,3,5-tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (CAS 2451-62-9) CAS 2451-62-9 · C12H15N3O6 Phenyl glycidyl ether (CAS 122-60-1) CAS 122-60-1 · C9H10O2 α, α,α,4-tetrachlorotoluene (CAS 5216-25-1) CAS 5216-25-1 · C7H4Cl4 Methane (CAS 74-82-8) CAS 74-82-8 · CH4 Nitric acid [C > 70 %] (CAS 7697-37-2) CAS 7697-37-2 · HNO3

📜 License & provenanceMolGod_License_1

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

ENGRAVEDNORMAL

5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one (CAS 1003-35-6), C2H4N4O - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL preview

MG_667-657-426-26 · engraved · 140,640 △ · 7 MB · SHA-256 82f749a8154ef0e0

Download 3D model · ENGRAVED · C H N O

5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one (CAS 1003-35-6), C2H4N4O - 3D ball-and-stick molecular model, MolGod STL preview

MG_667-657-426-26 · normal · 4,768 △ · 233 KB · SHA-256 e29d17a7c8182f57

Download 3D model

Model: 5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one · 1003-35-6
InChIKey: XOHBRLLZSIGHDE-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one (CAS 1003-35-6)
License & provenance record: 5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one (CAS 1003-35-6) →
MolGod molecule record: 5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one →
Source data: PubChem CID 135481969 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): e29d17a7c8182f5784e54b7ff988aa9bc44b9f1cdc5a69d09d7860c01370ea09
MD5 (STL): 4c8193642e6f9fda277a3e37651eb70d
MolGod Identification Number: MG_667-657-426-26
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: STL · PNG

📄 Download 3D model (233 KB)📄 Download 3D model · ENGRAVED · C H N O · (7 MB)

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