2-(1H-1,2,4-triazol-1-yl)ethan-1-ol 2-(1H-1,2,4-三唑-1-基)乙醇

CAS 3273-14-1 MFCD00607979

化学结构图

3273-14-1
SMILES: OCCn1cncn1

化学属性

Mol. FormulaC4H7N3O
Mol. Weight113.12
Melting Point54-56 °C
Boiling Point170-171 °C at 760 mmHg

别名和识别编码

Chemical Name2-(1H-1,2,4-triazol-1-yl)ethan-1-ol
CAS Number3273-14-1
Alfabeta NameTRIAZOLYLETHANOL H2112411()-------,,
MDL NumberMFCD00607979
Chemical Name Translation2-(1H-1,2,4-三唑-1-基)乙醇
InChIKeyCLVALLQETQTQMV-UHFFFAOYSA-N
LabNetwork Molecule IDLN00158634
PubChem Substance ID550925
InChIInChI=1S/C4H7N3O/c8-2-1-7-4-5-3-6-7/h3-4,8H,1-2H2
Synonym 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1H-1,2,4-Triazol-1-yl)ethan-1
Canonical SMILESOCCN1N=CN=C1
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分类

  • {KO} Alcohols

安全信息

Warnings IRRITANT
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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
1
LogP
-4.556999999999999e-001

系列性分类

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