3-Bromo-4-methyl-4H-1,2,4-triazole - CAS 16681-73-5
Catalog: |
BB012323 |
Product Name: |
3-Bromo-4-methyl-4H-1,2,4-triazole |
CAS: |
16681-73-5 |
Synonyms: |
3-bromo-4-methyl-1,2,4-triazole; 3-bromo-4-methyl-1,2,4-triazole |
IUPAC Name: | 3-bromo-4-methyl-1,2,4-triazole |
Description: | 3-Bromo-4-methyl-4H-1,2,4-triazole (CAS# 16681-73-5) is a useful research chemical compound. |
Molecular Weight: | 161.99 |
Molecular Formula: | C3H4BrN3 |
Canonical SMILES: | CN1C=NN=C1Br |
InChI: | InChI=1S/C3H4BrN3/c1-7-2-5-6-3(7)4/h2H,1H3 |
InChI Key: | PYMVKLCRJYMSGC-UHFFFAOYSA-N |
Boiling Point: | 255.9 °C at 760 mmHg |
Density: | 1.93 g/cm3 |
LogP: | 0.57760 |
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 |
TW-201944993-A | CBL-B inhibitor and use method thereof | 20180126 |
WO-2019148005-A1 | Inhibitors of cbl-b and methods of use thereof | 20180126 |
EP-3743063-A1 | Inhibitors of cbl-b and methods of use thereof | 20180126 |
TW-201833087-A | 1,3-substituted pyrazole compounds useful for reduction of very long chain fatty acid levels | 20161209 |
US-2018251431-A1 | 1,3-substituted pyrazole compounds useful for reduction of very long chain fatty acid levels | 20161209 |
Complexity: | 67.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.95886 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.95886 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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