1-(3-Nitrophenyl)-1H-1,2,4-triazole - CAS 25688-23-7
Catalog: |
BB019010 |
Product Name: |
1-(3-Nitrophenyl)-1H-1,2,4-triazole |
CAS: |
25688-23-7 |
Synonyms: |
1-(3-nitrophenyl)-1,2,4-triazole; 1-(3-nitrophenyl)-1,2,4-triazole |
IUPAC Name: | 1-(3-nitrophenyl)-1,2,4-triazole |
Description: | 1-(3-Nitrophenyl)-1H-1,2,4-triazole (CAS# 25688-23-7 ) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C8H6N4O2 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])N2C=NC=N2 |
InChI: | InChI=1S/C8H6N4O2/c13-12(14)8-3-1-2-7(4-8)11-6-9-5-10-11/h1-6H |
InChI Key: | HYTFMMVEHXWFEK-UHFFFAOYSA-N |
MDL: | MFCD11100132 |
LogP: | 1.69870 |
Publication Number | Title | Priority Date |
WO-2018106646-A1 | Aminotriazoles for the treatment of demyelinating diseases | 20161206 |
EP-3302465-A1 | Triazoles for the treatment of demyelinating diseases | 20150605 |
WO-2016197009-A1 | Triazoles for the treatment of demyelinating diseases | 20150605 |
WO-2009090548-A2 | 3-azabicyclo [3.1.0] hexane derivatives as vanilloid receptor ligands | 20080117 |
EP-0770079-A1 | Heterobicyclic derivatives | 19940711 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.04907545 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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