Basic information
- CAS
104958-86-3- Standard SMILES
COCC(O)Cn1cnc([N+](=O)[O-])n1- InChIKey
PUGFKWCQLDZWDJ-UHFFFAOYSA-N- Molecular formula
- C6H10N4O4
- Average molar mass
- 202.17 g/mol
- Monoisotopic mass
- 202.07020481
Names & identifiers
- Preferred name
- 1,2,4-Triazole,3-nitro-1-(2-hydroxy-3-methoxy)PR
- IUPAC
- 1-methoxy-3-(3-nitro-1,2,4-triazol-1-yl)propan-2-ol
Names & synonyms
NSC343743SCHEMBL9440834DTXSID208756111,2,4-TRIAZOLE,3-NITRO-1-(2-HYDROXY-3-METHOXY)PR1-methoxy-3-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-olAKOS013245663NSC-343743104958-86-3
Database identifiers
- CAS
104958-86-3- PubChem CID
- 335276
- DTXSID
DTXSID20875611- Nikkaji
- J1.552.348D
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
LogP-0.47
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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