Basic information
- CAS
24054-57-7- Standard SMILES
Cn1nc(NCO)nc1-c1ccc([N+](=O)[O-])o1- InChIKey
OSJCVVZQMJBQDJ-UHFFFAOYSA-N- Molecular formula
- C8H9N5O4
- Average molar mass
- 239.19 g/mol
- Monoisotopic mass
- 239.06545379
Names & identifiers
- Preferred name
- s-Triazole, 5-(hydroxymethylamino)-1-methyl-3-(5-nitro-2-furyl)-
- IUPAC
- [[1-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]amino]methanol
- English name
- [[1-Methyl-3-(5-nitro-2-furyl)-1H-1,2,4-triazol-5-yl]amino]methanol
- Molecular formula
- C8H9N5O4
- Molecular weight
- 239.19
Names & synonyms
BRN 101498524054-57-75-(Hydroxymethylamino)-1-methyl-3-(5-nitro-2-furyl)-s-triazoles-Triazole, 5-(hydroxymethylamino)-1-methyl-3-(5-nitro-2-furyl)-Methanol, ((1-methyl-3-(5-nitro-2-furanyl)-1H-1,2,4-triazol-5-yl)amino)-RefChem:379733DTXSID60946899{[1-Methyl-5-(5-nitrofuran-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-ylidene]amino}methanol[[1-Methyl-3-(5-nitro-2-furyl)-1H-1,2,4-triazol-5-yl]amino]methanol[[1-Methyl-3-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-5-yl]amino]methanolMethanol, 1-[[1-methyl-3-(5-nitro-2-furanyl)-1H-1,2,4-triazol-5-yl]amino]-
Database identifiers
- CAS
24054-57-7- PubChem CID
- 90352
- DTXSID
DTXSID60946899
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…