1-[(4-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole
Structure Info
- Chemspace ID
- CSSB00000052051 (In-Stock Building Blocks)
- CAS
- 712344-63-3
- MFCD
- MFCD02029282, MFCD02029282
- IUPAC Name
- 1-[(4-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole
- Mol formula
- C10H10N4O2
- Mol weight
- 218 Da
- Catalog Number(s)
- 7903537, AA01ANVX, AG273986, AV77033, B020958, BB049544, BBL041077, BBV-47180876, BD597190, BVV-821142277, CD11068550, CS-0281329, CSC000052051, CSCR00003581261, EN300-229767, HY-W218786, JH898588, MDB34463, OSSK_843712, PBMR179368, ST01APFH, STK317842, TX01AP4D, UZI/1264460, Y3621559, Y501-9283, Z666244772, ZXT059787, s_7_1003094_5484, s_7____1003094____5484
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.57
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
![Chemical structure of 1-[(4-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole (C10H10N4O2) - CSSB00000052051](/st/structure/200/8a47f6798db2b44a5da11c2809e821b5/CC1%253DCC%253DC%2528CN2C%253DNC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png "C10H10N4O2")
- Zoom the structure
- CSSB00000052051
Items Overall 16 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| UORSY | 5 days | Ukraine To: | 95 | 100 mg | 66.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 250 mg | 92.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 500 mg | 174.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 1 g | 256.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 2.5 g | 502.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 5 g | 743.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 10 g | 1,101.00 | |
| AA Blocks CN | 12 days | China To: | 90 | 5 mg | 150.70 | |
Description: 1-(4-methylbenzyl)-3-nitro-1H-1,2,4-triazole; CAS: 712344-63-3 | ||||||
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 52.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 78.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 110.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 174.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 224.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 477.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 898.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 1,741.00 | |
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Substructure Analogs
![Chemical structure of 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoic acid - CSSB00000595286](/st/structure/200/fcad381690a51afedc3022b33751d6c3/OC%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DNC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of 1-[(4-tert-butylphenyl)methyl]-3-nitro-1H-1,2,4-triazole - CSSB00026325655](/st/structure/200/7c1e067c0b693c47eb39e846335fdf8c/CC%2528C%2529%2528C%2529C1%253DCC%253DC%2528CN2C%253DNC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of methyl 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoate - CSSB00000389514](/st/structure/200/5ad6b1deccca05c54e110a5fe3d3e1ea/COC%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DNC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzohydrazide - CSSB00015197653](/st/structure/200/acca93f63ac94132318b9a62e1da0238/NNC%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DNC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of N-methoxy-N-methyl-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzamide - CSSB02051218589](/st/structure/200/2972425816cd63ab8136020b3b3572e4/CON%2528C%2529C%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DNC%2528%255BN%252B%255D%2528%253DO%2529%255BO-%255D%2529%253DN2%2529C%253DC1.png)
Similarity Analogs
![Chemical structure of 1-[(3-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole - CSSB00000052052](/st/structure/200/f2d107aca429be50e14bbe7062cb424f/CC1%253DCC%253DCC%2528CN2C%253DNC%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529%253DC1.png)
![Chemical structure of 1-[(4-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole - CSSB00000052050](/st/structure/200/312f7e852eff99ab135809c2d4b411ae/%255BO-%255D%255BN%252B%255D%2528%253DO%2529C1%253DNN%2528CC2%253DCC%253DC%2528F%2529C%253DC2%2529C%253DN1.png)
![Chemical structure of 1-[(4-chlorophenyl)methyl]-3-nitro-1H-1,2,4-triazole - CSSB00000052046](/st/structure/200/565e85f0b29435c189f5d1f27154234f/%255BO-%255D%255BN%252B%255D%2528%253DO%2529C1%253DNN%2528CC2%253DCC%253DC%2528Cl%2529C%253DC2%2529C%253DN1.png)
