Methyl 2-Methyl-1,2,3-triazole-4-carboxylate - CAS 105020-39-1
Catalog: |
BB001541 |
Product Name: |
Methyl 2-Methyl-1,2,3-triazole-4-carboxylate |
CAS: |
105020-39-1 |
Synonyms: |
2-methyl-4-triazolecarboxylic acid methyl ester; methyl 2-methyltriazole-4-carboxylate |
IUPAC Name: | methyl 2-methyltriazole-4-carboxylate |
Description: | Methyl 2-Methyl-1,2,3-triazole-4-carboxylate (CAS# 105020-39-1) is a useful research chemical. |
Molecular Weight: | 141.13 |
Molecular Formula: | C5H7N3O2 |
Canonical SMILES: | CN1N=CC(=N1)C(=O)OC |
InChI: | InChI=1S/C5H7N3O2/c1-8-6-3-4(7-8)5(9)10-2/h3H,1-2H3 |
InChI Key: | DHEGGJDFEGULIC-UHFFFAOYSA-N |
MDL: | MFCD16495898 |
LogP: | -0.39830 |
Publication Number | Title | Priority Date |
WO-2021185256-A1 | Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof | 20200316 |
CA-3046588-A1 | Pyrazolo[3,4-b]pyridines and imidazo[1,5-b]pyridazines as pde1 inhibitors | 20161222 |
JP-2020502230-A | Pyrazolo [3,4-b] pyridine and imidazo [1,5-b] pyridazine as PDE1 inhibitors | 20161222 |
KR-20190095301-A | Pyrazolo [3,4-b] pyridine and imidazo [1,5-b] pyridazine as PDE1 inhibitors | 20161222 |
US-10351561-B2 | Pyrazolo[3,4-b]pyridines and imidazo[1,5-b]pyridazines as PDE1 inhibitors | 20161222 |
PMID | Publication Date | Title | Journal |
21583463 | 20090704 | Methyl 2-methyl-2H-1,2,3-triazole-4-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.053826475 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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