2-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxyamino)-1,2,4-triazin-3-one
Basic information
- CAS
22672-13-5- Standard SMILES
O=c1nc(NO)cnn1C1OC(CO)C(O)C1O- InChIKey
MFWQZOOSIZPUQD-UHFFFAOYSA-N- Molecular formula
- C8H12N4O6
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 260.07568412
Names & identifiers
- Preferred name
- 2-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxyamino)-1,2,4-triazin-3-one
- IUPAC
- 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxyamino)-1,2,4-triazin-3-one
Names & synonyms
NSC12583922672-13-5DTXSID30419146NSC-1258395-Nitroso-2-pentofuranosyl-1,4-dihydro-1,2,4-triazin-3(2H)-one
Database identifiers
- CAS
22672-13-5- PubChem CID
- 277237
- DTXSID
DTXSID30419146
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…