4,5-Dihydro-5-methyl-6-(4-(4-oxo-1(4H)-pyridinyl)phenyl)-3(2H)-pyridazinone

HCID 130702CAS 112127-66-9

基本情報

標準SMILES
CC1CC(=O)NN=C1c1ccc(-n2ccc(=O)cc2)cc1
InChIKey
OOTPDLYEDHRWNL-UHFFFAOYSA-N
分子式
C16H15N3O2
平均分子量
281.31 g/mol
単同位体質量
281.11642673

名称と識別子

優先名称
4,5-Dihydro-5-methyl-6-(4-(4-oxo-1(4H)-pyridinyl)phenyl)-3(2H)-pyridazinone
IUPAC
4-methyl-3-[4-(4-oxo-1-pyridinyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

名称と別名

SK&F 95654112127-66-9Skf 95654SK&F-95654SB 95654SB-956544,5-dihydro-5-methyl-6-(4-(4-oxo-1(4h)-pyridinyl)phenyl)-3(2h)-pyridazinone4,5-Dihydro-5-methyl-6-[4-(4-oxo-1(4H)-pyridinyl)phenyl]-3(2H)-pyridazinoneRefChem:9118804-methyl-3-[4-(4-oxopyridin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one3(2H)-Pyridazinone, 4,5-dihydro-5-methyl-6-(4-(4-oxo-1(4H)-Pyridinyl)phenyl)-OOTPDLYEDHRWNL-UHFFFAOYSA-N
名称をさらに表示
DTXSID80920671SKF-95654skf95654SCHEMBL6212361GLXC-02359DB-3959881-[4-(6-Hydroxy-4-methyl-4,5-dihydropyridazin-3-yl)phenyl]pyridin-4(1H)-one5-Methyl-6-[4-(4-oxo-1,4-dihydropyridin-1-yl)phenyl]-4,5-dihydro-3(2H)-pyridazinone

データベース識別子

CAS
112127-66-9
PubChem CID
130702
Nikkaji
J522.920K

物性

構造計算による物性

XLogP
1.4
極性表面積
61.8 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
2
重原子数
21

関連反応

9 件

関連ノート

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