4-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-5-carbonitrile
Structure Info
- Chemspace ID
- CSSB00000065938 (In-Stock Building Blocks)
- MFCD
- MFCD00170936, MFCD26939690
- IUPAC Name
- 4-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-5-carbonitrile
- Mol formula
- C10H6N4O2
- Mol weight
- 214 Da
- Catalog Number(s)
- AA00IZXL, AGN-PC-0OKBLU, AGNPC-0OKBLU, AI86277, BBV-78381810, BBV-78449675, BBV-95451019, CSC000065938, CSC042442622, CSC135431190, FB169848, FCH2717122, FCH4065350, FCH6569765, LN00310675, MS-6698, NJB87058, PBMR198596, ST00J1H5, TX00J161
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.33
- Heavy atoms count
- 16
- Rotatable bond count
- 1
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.1
- Polar surface area (Å)
- 84
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00000065938
Items Overall 4 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 500 mg | 566.50 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 1 mg | 221.10 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 5 mg | 235.40 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 264.00 | |
Description: 4-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-5-carbonitrile; CAS: 863870-58-0 | ||||||
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Substructure Analogs
![Chemical structure of 4-(2H-1,3-benzodioxol-5-yl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,3-triazole-5-carbonitrile - CSSB00025734321](/st/structure/200/6db03a153f9c557cf78fe14b7af88b20/FC%2528F%2529%2528F%2529C1%253DCN%253DC%2528N2N%253DNC%2528%253DC2C%2523N%2529C2%253DCC%253DC3OCOC3%253DC2%2529C%2528Cl%2529%253DC1.png)
Similarity Analogs
![Chemical structure of 2-[1-(2H-1,3-benzodioxol-5-yl)ethylidene]propanedinitrile - CSSB00000183138](/st/structure/200/e636dfffba41428d1050f778eddf59a4/CC%2528%253DC%2528C%2523N%2529C%2523N%2529C1%253DCC%253DC2OCOC2%253DC1.png)
![Chemical structure of 3-[3-(2H-1,3-benzodioxol-5-yl)-4-formyl-1H-pyrazol-1-yl]propanenitrile - CSSB00000688067](/st/structure/200/3a99f68fbc87fd31ad640e1058bdee54/O%253DCC1%253DCN%2528CCC%2523N%2529N%253DC1C1%253DCC%253DC2OCOC2%253DC1.png)
