s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-
Basic information
- CAS
23633-05-8- Standard SMILES
Cn1c(NCO)nnc1-c1ccc([N+](=O)[O-])o1- InChIKey
KLSJGJFSWDJEOE-UHFFFAOYSA-N- Molecular formula
- C8H9N5O4
- Average molar mass
- 239.19 g/mol
- Monoisotopic mass
- 239.06545379
Names & identifiers
- Preferred name
- s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-
- IUPAC
- [[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]amino]methanol
- English name
- [[4-Methyl-5-(5-nitro-2-furyl)-4H-1,2,4-triazol-3-yl]amino]methanol
- Molecular formula
- C8H9N5O4
- Molecular weight
- 239.19
Names & synonyms
23633-05-8BRN 10187733-(Hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-s-triazoles-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-Methanol, ((4-methyl-5-(5-nitro-2-furanyl)-4H-1,2,4-triazol-3-yl)amino)-RefChem:379724DTXSID80946452{[4-Methyl-5-(5-nitrofuran-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-ylidene]amino}methanol[[4-Methyl-5-(5-nitro-2-furyl)-4H-1,2,4-triazol-3-yl]amino]methanol[[4-Methyl-5-(5-nitrofuran-2-yl)-4H-1,2,4-triazol-3-yl]amino]methanolMethanol, 1-[[4-methyl-5-(5-nitro-2-furanyl)-4H-1,2,4-triazol-3-yl]amino]-
Database identifiers
- CAS
23633-05-8- PubChem CID
- 90219
- DTXSID
DTXSID80946452- Nikkaji
- J49.167E
Properties
Computed structural properties
- XLogP
- 0.1
- 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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…