4-Phenyl-1H-1,2,4-Triazol-5(4H)-One 4-苯基-4,5-二氢-1H-1,2,4-三唑-5-酮

CAS 1008-30-6 MFCD00266689

化学结构图

1008-30-6
SMILES: O=c1[nH]ncn1-c1ccccc1

化学属性

Mol. FormulaC8H7N3O
Mol. Weight161.16
Melting Point184-186 °C

别名和识别编码

Chemical Name4-Phenyl-1H-1,2,4-Triazol-5(4H)-One
CAS Number1008-30-6
Alfabeta NamePHENYLDIHYDROTRIAZOLONE H42431243--------,,,
MDL NumberMFCD00266689
Chemical Name Translation4-苯基-4,5-二氢-1H-1,2,4-三唑-5-酮
LabNetwork Molecule IDLN00147173
PubChem Substance ID261419
InChIInChI=1S/C8H7N3O/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12)
Synonym 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {} {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {} {} {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {} {} {} {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {} {} {} {} {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {} {} {} {} {} {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {} {} {} {} {} {} {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-phenyl-4,5-dihydro
Canonical SMILESO=C1NN=CN1C2=CC=CC=C2
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分类

  • {KO} AminesSecondaryHeteroNH

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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
1
H-bond Acceptors
2
Rotatable Bonds
1
LogP
1

系列性分类

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