3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan
Basic information
- CAS
215872-97-2- Standard SMILES
Cc1c(Cn2cncn2)no[n+]1[O-]- InChIKey
FLQLUWAZKFWISK-UHFFFAOYSA-N- Molecular formula
- C6H7N5O2
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.05997448
Names & identifiers
- Preferred name
- 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan
- IUPAC
- 3-methyl-2-oxido-4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazol-2-ium
Names & synonyms
CHEMBL22714973-METHYL-4-[(1,2,4-TRIAZOL-1-YL)METHYL]FUROXAN
Database identifiers
- CAS
215872-97-2- PubChem CID
- 479769
- DTXSID
DTXSID001160045- ChEMBL
CHEMBL2271497
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…