Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione
![Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione Structure](https://image.chemsrc.com/caspic/168/918538-04-2.png)
Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione structure
|
Common Name | Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione | ||
|---|---|---|---|---|
| CAS Number | 918538-04-2 | Molecular Weight | 151.123 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C6H5N3O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione |
|---|---|
| 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 | 1.7±0.1 g/cm3 |
|---|---|
| Molecular Formula | C6H5N3O2 |
| Molecular Weight | 151.123 |
| Exact Mass | 151.038177 |
| PSA | 70.13000 |
| LogP | -0.55 |
| Index of Refraction | 1.793 |
| InChIKey | AQTRWCPNROUMPO-UHFFFAOYSA-N |
| SMILES | O=c1[nH]c(=O)c2cccn2[nH]1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~64%
Pyrrolo[2,1-f][... CAS#:918538-04-2 |
| Literature: Bristol-Myers Squibb Company Patent: US2007/4731 A1, 2007 ; Location in patent: Page/Page column 15 ; |
|
~64%
Pyrrolo[2,1-f][... CAS#:918538-04-2 |
| Literature: Bristol-Myers Squibb Company Patent: US2008/9497 A1, 2008 ; Location in patent: Page/Page column 17-18 ; US 20080009497 A1 |
|
~%
Pyrrolo[2,1-f][... CAS#:918538-04-2 |
| Literature: Bristol-Myers Squibb Company Patent: US2008/9497 A1, 2008 ; US 20080009497 A1 |
|
~%
Pyrrolo[2,1-f][... CAS#:918538-04-2 |
| Literature: Xin, Minhang; Zhang, Liandi; Tang, Feng; Tu, Chongxing; Wen, Jun; Zhao, Xinge; Liu, Zhaoyu; Cheng, Lingfei; Shen, Han Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 4 p. 1429 - 1440 |
|
~%
Pyrrolo[2,1-f][... CAS#:918538-04-2 |
| Literature: Xin, Minhang; Zhang, Liandi; Tang, Feng; Tu, Chongxing; Wen, Jun; Zhao, Xinge; Liu, Zhaoyu; Cheng, Lingfei; Shen, Han Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 4 p. 1429 - 1440 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 1 | |
![2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine structure](https://image.chemsrc.com/caspic/130/918538-05-3.png)
CAS#:918538-05-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Competitive binding affinity to recombinant human LXRbeta-LBD expressed in Escherichi...
Source: ChEMBL
Target: Oxysterols receptor LXR-beta
External Id: CHEMBL4360511
|
|
Name: Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 ...
Source: ChEMBL
Target: Oxysterols receptor LXR-beta
External Id: CHEMBL4360509
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione |
| Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione? |
| A: CAS number of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione is 918538-04-2. |
| Q: What is the molecular formula of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione? |
| A: Molecular formula of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione is C6H5N3O2. |
| Q: What is the SMILES notation of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione? |
| A: SMILES notation of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione is O=c1[nH]c(=O)c2cccn2[nH]1. |
| Q: What are the upstream materials of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione? |
| A: Related upstream materials(CAS) of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione: 541-41-3;159326-69-9;159326-66-6;4513-94-4. |
| Q: What is the polar surface area (PSA) of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione? |
| A: Polar surface area (PSA) of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione is 70.13000. |
| Q: What is the InChIKey of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione? |
| A: InChIKey of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione is AQTRWCPNROUMPO-UHFFFAOYSA-N. |
| Q: What are the downstream products of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione? |
| A: Related downstream products(CAS) of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione: 918538-05-3. |
| Q: What is the LogP of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione? |
| A: LogP of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione is -0.55. |
| Q: What English synonyms does Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione have? |
| A: English synonyms of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione: 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione, Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione. |
| Q: What is the English name of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione? |
| A: The English name of Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione is Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |