1H-Pyrazolo[3,4-b]pyridin-3-amine 3-氨基-1H-吡唑并[3,4-b]吡啶

CAS 6752-16-5 MFCD04113611

化学结构图

6752-16-5
SMILES: Nc1n[nH]c2ncccc12

化学属性

Mol. FormulaC6H6N4
Mol. Weight134.14
Melting Point187-192°C
Density1.422
Boiling Point406.7°C at 760 mmHg

别名和识别编码

Chemical Name1H-Pyrazolo[3,4-b]pyridin-3-amine
CAS Number6752-16-5
Alfabeta NamePYRAZOLOPYRIDINAMINE HB1343[]----,
MDL NumberMFCD04113611
Synonym 3-Aminopyrazolo[3,4-b]pyridine {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminopyrazolo[3,4-b]pyridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation3-氨基-1H-吡唑并[3,4-b]吡啶
PubChem Substance ID241369
LabNetwork Molecule IDLN00130891
InChIInChI=1S/C6H6N4/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H3,7,8,9,10)
Canonical SMILESNC1=NNC2=NC=CC=C21
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分类

  • {KO} AminesSecondaryHeteroNH
  • Heterocycles
  • Amines
  • {KO} AminesPrimary
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Indazoles

安全信息

Warnings IRRITANT
Signal word Danger
GHS Symbol
WGK Germany1
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P301+P310
Hazard Codes 6.1 T Xi
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
Packing GroupIII
UN Number 2811
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
2
Rotatable Bonds
0
LogP
9.669000000000000e-001

其他信息

  • 存储注意事项:氮气保护
  • Hazard Note:Irritant
  • 上游原料:乙醇 --> 硫酸 --> 硝酸 --> 钯 --> 氯化锌 --> 1,1,3,3-四甲氧基丙烷 --> 3-氨基吡唑
  • MOL 文件:6752-16-5.mol
  • 检测方法:HPLC

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. Indazoles 吲唑
  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. Indazoles 吲唑

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