3-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline
Structure Info
- Chemspace ID
- CSSB00121589675 (In-Stock Building Blocks)
- MFCD
- MFCD14528890
- IUPAC Name
- 3-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline
- Mol formula
- C16H13N5S
- Mol weight
- 307 Da
- Catalog Number(s)
- AA00JJD5, AJ11461, AP-970/43492232, BB17-1819, BBL034118, CSC121589675, LN00326757, OSSL_840869, PBMR216318, ST00JKWP, STL387847, TX00JKLL, VS-12437
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.98
- Heavy atoms count
- 22
- Rotatable bond count
- 3
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.062
- Polar surface area (Å)
- 69
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
![Chemical structure of 3-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline (C16H13N5S) - CSSB00121589675](/st/structure/200/21e89fa6a7f35e55139b9f0634b2827b/NC1%253DCC%253DCC%2528%253DC1%2529C1%253DNN2C%2528CC3%253DCC%253DCC%253DC3%2529%253DNN%253DC2S1.png "C16H13N5S")
- Zoom the structure
- CSSB00121589675
Items Overall 7 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| AA Blocks CN | 12 days | China To: | 90 | 10 mg | 336.60 | |
| AA Blocks CN | 12 days | China To: | 90 | 20 mg | 350.90 | |
| AA Blocks CN | 12 days | China To: | 90 | 50 mg | 388.30 | |
| AA Blocks CN | 12 days | China To: | 90 | 100 mg | 425.70 | |
Description: 3-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline; CAS: 1216066-84-0 | ||||||
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 245.30 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 50 mg | 288.20 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 100 mg | 317.90 | |
Description: 3-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline; CAS: 1216066-84-0 | ||||||
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Substructure Analogs
![Chemical structure of 3-{3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N,N-dimethylaniline - CSSB00121624182](/st/structure/200/9985d10b923d8b5ea497c3cad96e6bcd/COC1%253DCC%253DC%2528CC2%253DNN%253DC3SC%2528%253DNN23%2529C2%253DCC%253DCC%2528%253DC2%2529N%2528C%2529C%2529C%253DC1.png)
![Chemical structure of 3-{3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N,N-dimethylaniline - CSSB00121606642](/st/structure/200/47166a358dd266ab6977f7011eebadf3/COC1%253DCC%253DC%2528CC2%253DNN%253DC3SC%2528%253DNN23%2529C2%253DCC%253DCC%2528%253DC2%2529N%2528C%2529C%2529C%253DC1OC.png)
Similarity Analogs
![Chemical structure of 3-benzyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole - CSSB00121606690](/st/structure/200/effeade63911dee1b447890829d08062/C%2528C1%253DNN%253DC2SC%2528%253DNN12%2529C1%253DCC%253DCC%253DC1%2529C1%253DCC%253DCC%253DC1.png)
![Chemical structure of 3-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline - CSSB00000389960](/st/structure/200/c972c03f9d59eda65ef38d88ce1050ec/CCC1%253DNN%253DC2SC%2528%253DNN12%2529C1%253DCC%253DCC%2528N%2529%253DC1.png)
![Chemical structure of 3-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline - CSSB00000261954](/st/structure/200/eab72a845c9cfb6f21de2a8e9c25a797/CC1%253DNN%253DC2SC%2528%253DNN12%2529C1%253DCC%253DCC%2528N%2529%253DC1.png)
![Chemical structure of 3-benzyl-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole - CSSB00121633430](/st/structure/200/103423e46345e221e6992a7f351843b4/FC1%253DCC%253DC%2528C%253DC1%2529C1%253DNN2C%2528CC3%253DCC%253DCC%253DC3%2529%253DNN%253DC2S1.png)
![Chemical structure of 6-phenyl-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole - CSSB00121616985](/st/structure/200/811f16a2a5b4e3c387a21be52c8cf54e/C%2528CC1%253DCC%253DCC%253DC1%2529C1%253DNN%253DC2SC%2528%253DNN12%2529C1%253DCC%253DCC%253DC1.png)
![Chemical structure of 3-[(4-chlorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole - CSSB00121633064](/st/structure/200/6441221ba991aed27102c735c859d65f/ClC1%253DCC%253DC%2528CC2%253DNN%253DC3SC%2528%253DNN23%2529C2%253DCC%253DCC%253DC2%2529C%253DC1.png)
![Chemical structure of 3-benzyl-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole - CSSB00121633433](/st/structure/200/3673ae0d5f9057146a1291c48dc3cbcf/ClC1%253DCC%253DC%2528C%253DC1%2529C1%253DNN2C%2528CC3%253DCC%253DCC%253DC3%2529%253DNN%253DC2S1.png)
