1,2,4-Oxadiazol-3-ol,5-amino-
Basic information
- CAS
221393-18-6- Standard SMILES
N=c1[nH]c(O)no1- InChIKey
PKTPIMKQCMJMAF-UHFFFAOYSA-N- Molecular formula
- C2H3N3O2
- Average molar mass
- 101.06 g/mol
- Monoisotopic mass
- 101.02252635
Names & identifiers
- Preferred name
- 1,2,4-Oxadiazol-3-ol,5-amino-
- IUPAC
- 5-amino-1,2,4-oxadiazol-3-one
- English name
- 1,2,4-Oxadiazol-3-ol,4,5-dihydro-5-imino-(9CI)
- Molecular formula
- C2H3N3O2
- Molecular weight
- 101.06
Names & synonyms
350036-98-51,2,4-oxadiazol-3-ol,5-amino-221393-16-4SCHEMBL18937731AKOS0063500231,2,4-Oxadiazol-3(2H)-one, 5-amino-DB-2672185-amino-2,3-dihydro-1,2,4-oxadiazol-3-one1,2,4-Oxadiazol-3-ol, 4,5-dihydro-5-imino-1,2,4-Oxadiazol-3-ol,4,5-dihydro-5-imino-(9CI)
Database identifiers
- CAS
221393-18-6- PubChem CID
- 10510817
- Nikkaji
- J1.055.076I
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 145.6 · 145.6±23.0 °C(Predicted)
- Density
- 2.21 · 2.21±0.1 g/cm3(Predicted)
- pka
- 1.56 · 1.56±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…