3-Methyl-4-Phenyl-1H-1,2,4-Triazol-5(4H)-One 3-甲基-4-苯基-1H-1,2,4-三唑-5(4H)-酮

CAS 1010-54-4 MFCD03787260

化学结构图

1010-54-4
SMILES: Cc1n[nH]c(=O)n1-c1ccccc1

化学属性

Mol. FormulaC9H9N3O
Mol. Weight175.19
Melting Point153-154 °C

别名和识别编码

Chemical Name3-Methyl-4-Phenyl-1H-1,2,4-Triazol-5(4H)-One
CAS Number1010-54-4
Alfabeta NameMETHYLPHENYLDIHYDROTRIAZOLONE H542431243----------,,,
MDL NumberMFCD03787260
Chemical Name Translation3-甲基-4-苯基-1H-1,2,4-三唑-5(4H)-酮
LabNetwork Molecule IDLN00146480
PubChem Substance ID3845230
InChIInChI=1S/C9H9N3O/c1-7-10-11-9(13)12(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)
Synonym 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {} {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {} {} {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {} {} {} {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {} {} {} {} {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {} {} {} {} {} {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {} {} {} {} {} {} {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {} {} {} {} {} {} {} {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {} {} {} {} {} {} {} {} {} {LY} 5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one {} {} {} {} {} {} {} {} {} {} {}
Canonical SMILESO=C1NN=C(C)N1C2=CC=CC=C2
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分类

  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition

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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