5-Benzyl-4H-1,2,4-triazole-3-carboxylic Acid Hydrochloride - CAS 1622854-83-4
Catalog: |
BB011854 |
Product Name: |
5-Benzyl-4H-1,2,4-triazole-3-carboxylic Acid Hydrochloride |
CAS: |
1622854-83-4 |
Synonyms: |
5-(phenylmethyl)-1H-1,2,4-triazole-3-carboxylic acid;hydrochloride; 5-benzyl-1H-1,2,4-triazole-3-carboxylic acid;hydrochloride |
IUPAC Name: | 5-benzyl-1H-1,2,4-triazole-3-carboxylic acid;hydrochloride |
Description: | 5-Benzyl-4H-1,2,4-triazole-3-carboxylic Acid Hydrochloride (CAS# 1622854-83-4 ) is a useful research chemical. |
Molecular Weight: | 239.66 |
Molecular Formula: | C10H10ClN3O2 |
Canonical SMILES: | C1=CC=C(C=C1)CC2=NC(=NN2)C(=O)O.Cl |
InChI: | InChI=1S/C10H9N3O2.ClH/c14-10(15)9-11-8(12-13-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,14,15)(H,11,12,13);1H |
InChI Key: | GTWFWLGJAVSBHB-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2018007973-A2 | Process and intermediates for preparing benzoxazepines | 20160706 |
AU-2014217453-A1 | Heterocyclic amides as kinase inhibitors | 20130215 |
AU-2014217453-B2 | Heterocyclic amides as kinase inhibitors | 20130215 |
CN-105121432-A | Heterocyclic amides as kinase inhibitors | 20130215 |
CN-105121432-B | Heterocycleamide as kinase inhibitor | 20130215 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.0461543 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.0461543 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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