Ethyl 3-[(1H-1,2,4-triazol-5-yl)methyl]benzoate
Structure Info
- Chemspace ID
- CSSB03567406197 (In-Stock Building Blocks)
- CAS
- 3028138-51-1
- IUPAC Name
- ethyl 3-[(1H-1,2,4-triazol-5-yl)methyl]benzoate
- Mol formula
- C12H13N3O2
- Mol weight
- 231 Da
- Catalog Number(s)
- BBLS03567406197, BBV-413005200, EN300-31598164, bbls03567406197, s_1458_25946680_483918, s_1458____25946680____483918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.91
- Heavy atoms count
- 17
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 68
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
![Chemical structure of Ethyl 3-[(1H-1,2,4-triazol-5-yl)methyl]benzoate (C12H13N3O2) - CSSB03567406197](/st/structure/200/20739a04245158dc30b96a8e6ca624c3/CCOC%2528%253DO%2529c1cccc%2528Cc2ncn%255BnH%255D2%2529c1.png "C12H13N3O2")
- Zoom the structure
- CSSB03567406197
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 551.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 578.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 604.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 629.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 656.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,287.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 1,903.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 2,823.00 |
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Substructure Analogs
![Chemical structure of ethyl 3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzoate - CSSB15068590168](/st/structure/200/5ff222c35edba509e9e4c0e6ecbd618e/CCOC%2528%253DO%2529C1%253DCC%2528CC2%253DNN%253DCN2C%2529%253DCC%253DC1.png)
Similarity Analogs
![Chemical structure of methyl 3-[(1H-1,2,4-triazol-5-yl)methyl]benzoate - CSSB03559856700](/st/structure/200/a00b39c505542a70ee63c60de2ca1cb8/COC%2528%253DO%2529c1cccc%2528Cc2ncn%255BnH%255D2%2529c1.png)
![Chemical structure of ethyl 3-[(1H-1,2,4-triazol-1-yl)methyl]benzoate - CSSB01995257493](/st/structure/200/32132ba0251e6d8be389e7e3d2144623/CCOC%2528%253DO%2529C1%253DCC%253DCC%2528CN2C%253DNC%253DN2%2529%253DC1.png)
![Chemical structure of ethyl 2-[(1H-1,2,4-triazol-5-yl)methyl]benzoate - CSSB03567406196](/st/structure/200/3c3aacf2839208b225b18c3fe4db08ca/CCOC%2528%253DO%2529c1ccccc1Cc2ncn%255BnH%255D2.png)
