5-Amino-4-Cyano-3-(Cyanomethyl)Pyrazole 3-(氰甲基)-4-氰基-5-氨基吡唑

CAS 54711-21-6 MFCD00022387

化学结构图

54711-21-6
SMILES: NC1NN=C(CC#N)C=1C#N

化学属性

Mol. FormulaC6H5N5
Mol. Weight147
Melting Point198 - 200

别名和识别编码

Chemical Name5-Amino-4-Cyano-3-(Cyanomethyl)Pyrazole
CAS Number54711-21-6
Alfabeta NameAMINOCYANOMETHYLPYRAZOLECARBONITRILE H5314()-------
MDL NumberMFCD00022387
Chemical Name Translation3-(氰甲基)-4-氰基-5-氨基吡唑
Synonym 3-Cyanomethyl-4-cyano-5-aminopyrazole
Wiswesser Line NotationT5MNJ C1CN DCN EZ
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分类

  • {KO} Nitriles
  • {KO} AminesPrimary
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
RTECSUQ6250000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#00798

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
2
H-bond Acceptors
3
Rotatable Bonds
1
LogP
-4.049000000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrazoles 吡唑

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