5-amino-1-methyl-1H-pyrazole-4-carbonitrile 1-甲基-4-氰基-5-氨基-1,2-吡唑
CAS 5334-41-8 MFCD00114569
化学结构图
SMILES: Cn1ncc(C#N)c1N
化学属性
| Mol. Formula | C5 |
|---|---|
| Mol. Weight | 122 |
| Melting Point | 221-223° |
别名和识别编码
| Chemical Name | 5-amino-1-methyl-1H-pyrazole-4-carbonitrile |
|---|---|
| CAS Number | 5334-41-8 |
| Alfabeta Name | AMINOMETHYLPYRAZOLECARBONITRILE H5114------- |
| MDL Number | MFCD00114569 |
| Synonym | 1-Methyl-4-cyano-5-amino-1,2-pyrazole AKOS B020561 5-AMINO-4-CYANO-1-METHYLPYRAZOLE TIMTEC-BB SBB007110 5-Amino-4-cyano-1-methyl-1,2-pyrazole; 5-Amino-4-cyano-1-methylpyrazole; 5-Amino-1-methyl-1H-pyrazole-4-carbonitrile 5-AMINO-1-METHYL-1H-PYRAZOLE-4-CARBONITRILE ART-CHEM-BB B020561 5-Amino-4-cyano-N-methyl-1,2-pyrazole BUTTPARK 52\04-84 1-甲基-4-氰基-5-氨基-1,2-吡唑 5-Amino-4-cyano-1-methyl-1,2-pyrazole |
| Chemical Name Translation | 1-甲基-4-氰基-5-氨基-1,2-吡唑 |
| LabNetwork Molecule ID | LN00010285 |
| PubChem Substance ID | 219740 |
| InChI | InChI=1S/C5H6N4/c1-9-5(7)4(2-6)3-8-9/h3H,7H2,1H3 |
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分类
- {KO} Nitriles
- {KO} AminesPrimary
安全信息
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P264+P265
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P302+P352
- P304+P340
- P305+P351+P338
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P319
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P332+P317
- P337+P313
- P337+P317
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P362+P364
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
2
Rotatable Bonds
0
LogP
-3.550000000000000e-001
其他信息
- MOL 文件:5334-41-8.mol
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