Basic information
- CAS
208122-43-4- Standard SMILES
Nc1nc(-c2nonc2N)no1- InChIKey
OXXKTGRIPAUKMA-UHFFFAOYSA-N- Molecular formula
- C4H4N6O2
- Average molar mass
- 168.11 g/mol
- Monoisotopic mass
- 168.03957339
Overview
4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine is a 1,2,4-oxadiazole and a 1,2,5-oxadiazole.
Names & identifiers
- Preferred name
- 4-(5-Amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
- IUPAC
- 4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
- English name
- 3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine
- Molecular formula
- C4H4N6O2
- Molecular weight
- 168.11
Names & synonyms
3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine208122-43-44-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amineOprea1_192706MLS000728257CHEMBL1523789SCHEMBL28542452CHEBI:116193HMS2670K21MFCD00235176SBB001606STK762564
Show more names
3(4-AMINOFURAZAN-3YL)-(1,2,4)OXADIAZOL-5-YLAMINE1,2,4-Oxadiazol-5-amine, 3-(4-amino-1,2,5-oxadiazol-3-yl)-
AKOS001740764SMR0003069503-amino-4-(5-amino-1,2,4-oxadiazol-3-yl)furazanQ271989864-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazole-3-ylamine
Database identifiers
- CAS
208122-43-4- PubChem CID
- 1255233
- ChEMBL
CHEMBL1523789- ChEBI
CHEBI:116193
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
Solubility>25.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 275 °C · >275 °C
- Boiling point
- 469 · 469.0±55.0 °C(Predicted)
- Density
- 1.719 · 1.719±0.06 g/cm3(Predicted)
- pka
- -2.28 · -2.28±0.50(Predicted)
Chemistry & industry
Suppliers5 total
常州宣叶科技有限公司15195022192 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Additional notes
DefinitionChEBI: 4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine is a heterocyclic compound and a dicarboximide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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