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 Ų, 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 widget above may be used for educational, research and commercial purposes.

Molecular formula	C2H4N4O
Masa molowa	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 Ų
HBD / HBA	3 / 2
PubChem CID	CID 135481969 ↗

Signal word: Warning

H302 — Działa szkodliwie po połknięciu

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

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

• 📊 PubChem CID 135481969 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność