4H-1,2,4-Triazole-3,4,5-triamine 4H-1,2,4-三唑-3,4,5-三胺

CAS 473-96-1 MFCD00628183

化学结构图

473-96-1
SMILES: Nc1nnc(N)n1N

化学属性

Mol. FormulaC2H6N6
Mol. Weight114.11
Melting Point269-271 °C
Boiling Point505.2±33.0 °C at 760 mmHg

别名和识别编码

Chemical Name4H-1,2,4-Triazole-3,4,5-triamine
CAS Number473-96-1
Alfabeta NameTRIAZOLETRIAMINE H4124345----,,,,
MDL NumberMFCD00628183
Chemical Name Translation4H-1,2,4-三唑-3,4,5-三胺
InChIKeyJJGGIYYGVKGMQZ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00148870
PubChem Substance ID96540
InChIInChI=1S/C2H6N6/c3-1-6-7-2(4)8(1)5/h5H2,(H2,3,6)(H2,4,7)
Synonym 4H-1,2,4-triazole-3,4,5-triamine {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-triazole-3,4,5-triamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-
Canonical SMILESN=1N=C(N)N(N)C1N
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分类

  • {KO} Hydrazines
  • {KO} AminesPrimary
  • {KO} Diamines

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
0
H-bond Donors
3
LogP
-4.484000000000000e-001
Lipinski's Rule of 3
Y

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. 1,2,4-Triazole 1,2,4-三唑

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