2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine structure
|
Common Name | 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine | ||
|---|---|---|---|---|
| CAS Number | 71079-39-5 | Molecular Weight | 323.39600 | |
| Density | 1.23g/cm3 | Boiling Point | 495.5ºC at 760 mmHg | |
| Molecular Formula | C17H21N7 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 253.5ºC | |
Summary: 2-Tert-Butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine, CAS Registry Number 71079-39-5, molecular formula C17H21N7, molecular weight 323.39600. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.23g/cm3 |
|---|---|
| Boiling Point | 495.5ºC at 760 mmHg |
| Molecular Formula | C17H21N7 |
| Molecular Weight | 323.39600 |
| Flash Point | 253.5ºC |
| Exact Mass | 323.18600 |
| PSA | 83.25000 |
| LogP | 2.43970 |
| Index of Refraction | 1.648 |
| InChIKey | FXPVOPGKLUIEOA-UHFFFAOYSA-N |
| SMILES | Cc1cc(NC(=NC(C)(C)C)Nn2cnnc2)c2ccccc2n1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~46%
2-tert-butyl-1-... CAS#:71079-39-5 |
| Literature: Rachlin, Schneur; Bramm, E.; Ahnfelt-Ronne, I.; Arrigoni-Martelli, E. Journal of Medicinal Chemistry, 1980 , vol. 23, # 1 p. 13 - 20 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Tested for percent enhancement of carrageenan paw edema in rat, administered orally a...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL796819
|
|
Name: Lethal dose in mice determined by Litchfield and Wilcoxon methods after peroral admin...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL738589
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| N-tert-butyl-N'-(2-methyl-quinolin-4-yl)-N''-[1,2,4]triazol-4-yl-guanidine |
| 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine |
| Guanidine,1-tert-butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine? |
| A: InChIKey of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine is FXPVOPGKLUIEOA-UHFFFAOYSA-N. |
| Q: What is the boiling point of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine? |
| A: Boiling point of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine is 495.5ºC at 760 mmHg. |
| Q: What is the molecular weight of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine? |
| A: Molecular weight of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine is 323.39600. |
| Q: What are the upstream materials of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine? |
| A: Related upstream materials(CAS) of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine: 584-13-4;71079-33-9. |
| Q: What is the SMILES notation of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine? |
| A: SMILES notation of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine is Cc1cc(NC(=NC(C)(C)C)Nn2cnnc2)c2ccccc2n1. |
| Q: What is the molecular formula of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine? |
| A: Molecular formula of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine is C17H21N7. |
| Q: What is the polar surface area (PSA) of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine? |
| A: Polar surface area (PSA) of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine is 83.25000. |
| Q: What is the English name of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine? |
| A: The English name of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine is 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine. |
| Q: What is the Chinese name of 71079-39-5? |
| A: Chinese name of 71079-39-5 is 71079-39-5. |
| Q: What is the LogP of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine? |
| A: LogP of 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine is 2.43970. |