3-methyl-4-nitro-1-(1-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}ethyl)-1H-pyrazole
Structure Info
- Chemspace ID
- CSSB00020599626 (In-Stock Building Blocks)
- MFCD
- MFCD16345368
- IUPAC Name
- 3-methyl-4-nitro-1-(1-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}ethyl)-1H-pyrazole
- Mol formula
- C13H18N6O2
- Mol weight
- 290 Da
- Catalog Number(s)
- 080362, AA00HHMH, AG244057, AGN-PC-0WCAHA, AGNPC-0WCAHA, AI15893, ALBB-021628, BB57-3128, BD508653, CD11317277, CSC020599626, FM129735, H33121, JH833934, LN00178586, LS-06536, M063060, OSSL_761916, ST00HJ61, STL414574, TX00HIUX, UZI/2583834, VZB77183, Y4173415, Y6367758, ZX-CH077919
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.22
- Heavy atoms count
- 21
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.615
- Polar surface area (Å)
- 92
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
![Chemical structure of 3-methyl-4-nitro-1-(1-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}ethyl)-1H-pyrazole (C13H18N6O2) - CSSB00020599626](/st/structure/200/fa60eda0ef1a50714ed69969891a7095/CC%2528N1C%253DC%2528C%2528C%2529%253DN1%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C1%253DNN%253DC2CCCCCN12.png "C13H18N6O2")
- Zoom the structure
- CSSB00020599626
Items Overall 4 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific CN | 14 days | China To: | 95 | 500 mg | 495.00 | |
| 1st Scientific CN | 14 days | China To: | 95 | 1 g | 536.80 | |
Description: 3-(1-(3-Methyl-4-nitro-1H-pyrazol-1-yl)ethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine; CAS: 1245771-83-8 | ||||||
| 1st Scientific LLC | 14 days | United States To: | 95 | 500 mg | 495.00 | |
| 1st Scientific LLC | 14 days | United States To: | 95 | 1 g | 536.80 | |
Description: 3-(1-(3-Methyl-4-nitro-1H-pyrazol-1-yl)ethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine; CAS: 1245771-83-8 | ||||||
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