5-Bromo-3-cyclopropyl-1H-1,2,4-triazole - CAS 82767-64-4
Catalog: |
BB036905 |
Product Name: |
5-Bromo-3-cyclopropyl-1H-1,2,4-triazole |
CAS: |
82767-64-4 |
Synonyms: |
3-bromo-5-cyclopropyl-1H-1,2,4-triazole |
IUPAC Name: | 3-bromo-5-cyclopropyl-1H-1,2,4-triazole |
Description: | 5-Bromo-3-cyclopropyl-1H-1,2,4-triazole can be used to treat HIV infection. |
Molecular Weight: | 188.03 |
Molecular Formula: | C5H6BrN3 |
Canonical SMILES: | C1CC1C2=NC(=NN2)Br |
InChI: | InChI=1S/C5H6BrN3/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H,7,8,9) |
InChI Key: | CWTBMXDHWRHCQT-UHFFFAOYSA-N |
MDL: | MFCD19103366 |
LogP: | 1.44460 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3558978-A1 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
JP-2020502189-A | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
US-2020115374-A1 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
WO-2018116107-A1 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
US-10899754-B2 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.97451 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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