3-(Chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole - CAS 881845-16-5
Catalog: |
BB038773 |
Product Name: |
3-(Chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole |
CAS: |
881845-16-5 |
Synonyms: |
3-(chloromethyl)-4,5-dimethyl-1,2,4-triazole; 3-(chloromethyl)-4,5-dimethyl-1,2,4-triazole |
IUPAC Name: | 3-(chloromethyl)-4,5-dimethyl-1,2,4-triazole |
Description: | 3-(Chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole (CAS# 881845-16-5 ) is a useful research chemical. |
Molecular Weight: | 145.59 |
Molecular Formula: | C5H8ClN3 |
Canonical SMILES: | CC1=NN=C(N1C)CCl |
InChI: | InChI=1S/C5H8ClN3/c1-4-7-8-5(3-6)9(4)2/h3H2,1-2H3 |
InChI Key: | LSWIXGUFXFSQHS-UHFFFAOYSA-N |
LogP: | 0.86230 |
Publication Number | Title | Priority Date |
WO-2020249785-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
US-2021017169-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
US-2020308145-A1 | Benzimidazole derivatives and their uses | 20171019 |
JP-2017526726-A | Heterocyclic compounds and uses thereof | 20140915 |
EP-2970265-B1 | Heterocyclic compounds and uses thereof | 20130315 |
Complexity: | 98.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.040675 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.040675 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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