N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide
![N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide Structure](https://image.chemsrc.com/caspic/353/87540-06-5.png)
N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide structure
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Common Name | N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide | ||
|---|---|---|---|---|
| CAS Number | 87540-06-5 | Molecular Weight | 372.42300 | |
| Density | 1.4g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C21H20N6O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: N-(4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl)acetamide (Chinese name: N-[4-(6-吡咯烷-1-基-[1,2,4]三唑[3,4-a]菲咯嗪-3-基)苯基]乙酰胺，CAS number: 87540-06-5，molecular formula: C21H20N6O)，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 | N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide |
|---|---|
| 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 | 1.4g/cm3 |
|---|---|
| Molecular Formula | C21H20N6O |
| Molecular Weight | 372.42300 |
| Exact Mass | 372.17000 |
| PSA | 78.91000 |
| LogP | 4.21760 |
| Index of Refraction | 1.745 |
| InChIKey | WIBMHODPGXACRA-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~89%
N-[4-(6-pyrroli... CAS#:87540-06-5 |
| Literature: Tarzia, Giorgio; Occelli, Emilio; Toja, Emilio; Barone, Domenico; Corsico, Nerina; et al. Journal of Medicinal Chemistry, 1988 , vol. 31, # 6 p. 1115 - 1123 |
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~%
N-[4-(6-pyrroli... CAS#:87540-06-5 |
| Literature: Tarzia, Giorgio; Occelli, Emilio; Toja, Emilio; Barone, Domenico; Corsico, Nerina; et al. Journal of Medicinal Chemistry, 1988 , vol. 31, # 6 p. 1115 - 1123 |
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~%
N-[4-(6-pyrroli... CAS#:87540-06-5 |
| Literature: Tarzia, Giorgio; Occelli, Emilio; Toja, Emilio; Barone, Domenico; Corsico, Nerina; et al. Journal of Medicinal Chemistry, 1988 , vol. 31, # 6 p. 1115 - 1123 |
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~%
N-[4-(6-pyrroli... CAS#:87540-06-5 |
| Literature: Tarzia, Giorgio; Occelli, Emilio; Toja, Emilio; Barone, Domenico; Corsico, Nerina; et al. Journal of Medicinal Chemistry, 1988 , vol. 31, # 6 p. 1115 - 1123 |
![N-(4-(6-chloro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl)acetamide structure](https://image.chemsrc.com/caspic/067/113628-52-7.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Lethal dose when given intraperitoneally in mice
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL741647
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Name: Inhibition of [3H]diazepam binding to GABA-A central benzodiazepine receptor of rat b...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit alpha-3
External Id: CHEMBL650466
|
|
Name: GABA ratio (IC50/IC50 in the presence of 10e-4 GABA).
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit alpha-3
External Id: CHEMBL847310
|
|
Name: Minimal effective dose (MED, ip) that significantly increased the number of shocks (a...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL879120
|
|
Name: Inhibition of Anti-pentylenetetrazole-induced convulsions in mice following i.p. admi...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL719178
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(4-acetylaminophenyl)-6-(1-pyrrolidinyl)-1,2,4-triazolo[3,4-a]phthalazine |
| N-(4-(6-(1-Pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)phenyl)acetamide |
| Acetamide,N-(4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)phenyl) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the Chinese name of 87540-06-5? |
| A: Chinese name of 87540-06-5 is 87540-06-5. |
| Q: What are the upstream materials of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide? |
| A: Related upstream materials(CAS) of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide: 123-75-1;113628-52-7;51935-42-3;122-85-0;87539-61-5. |
| Q: What is the polar surface area (PSA) of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide? |
| A: Polar surface area (PSA) of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide is 78.91000. |
| Q: What is the LogP of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide? |
| A: LogP of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide is 4.21760. |
| Q: What is the CAS number of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide? |
| A: CAS number of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide is 87540-06-5. |
| Q: What is the InChIKey of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide? |
| A: InChIKey of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide is WIBMHODPGXACRA-UHFFFAOYSA-N. |
| Q: What is the molecular formula of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide? |
| A: Molecular formula of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide is C21H20N6O. |
| Q: What is the molecular weight of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide? |
| A: Molecular weight of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide is 372.42300. |
| Q: What is the English name of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide? |
| A: The English name of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide is N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide. |
| Q: What is the SMILES notation of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide? |
| A: SMILES notation of N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1. |