2,5-Dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrole-3-carbaldehyde

CAS 453557-49-8 MFCD02187166

化学结构图

453557-49-8
SMILES: CC1=C(C=O)C=C(C)N1N1C=NN=C1

化学属性

Mol. FormulaC9H10N4O
Mol. Weight190.20
Melting Point230°

别名和识别编码

Chemical Name2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrole-3-carbaldehyde
Alfabeta NameDIMETHYLTRIAZOLYLPYRROLECARBALDEHYDE HH2514124413()-----------,,,
MDL NumberMFCD02187166
CAS Number453557-49-8
Synonym 2,5-dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrole-3-carbaldehyde
PubChem Substance ID329792097
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分类

  • {KO} Aldehydes
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Pyrroles

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P305+P351+P338
Signal word Warning
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；
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Risk Statements
  • R36 Irritating to eyes 刺激眼睛

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 Acceptors
3
Rotatable Bonds
2
H-bond Donors
0
LogP
7.217000000000000e-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. Pyrroles 吡咯

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