5-メチル-6-(4-アミノフェニル)-4,5-ジヒドロピリダジン-3(2H)-オン

Ici 109,081

HCID 161928

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 36725-28-7
標準SMILES: CC1CC(=O)NN=C1c1ccc(N)cc1
InChIKey: NWUOGOISBQCNKQ-UHFFFAOYSA-N
分子式: C11H13N3O
平均分子量: 203.24 g/mol

概要

inhibits maturation of follicular oocytes in presence of gonadotropins without affecting ovulation in mice

名称と識別子

優先名称: Ici 109,081
IUPAC: 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
現地名: 5-メチル-6-(4-アミノフェニル)-4,5-ジヒドロピリダジン-3(2H)-オン
英語名: 6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
分子式: C11H13N3O
分子量: 203.24

名称と別名

36725-28-7Ici 109,081RefChem:5393736-(4-aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone3(2H)-Pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-MFCD016927126-(4-Aminophenyl)-5-methyl-4,5-dihydro-2H-pyridazin-3-one3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-oneLevosimendan dazinones intermediates6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)pyridazinoneICI-109081

名称をさらに表示

6-[4-アミノフェニル]-4,5-ジヒドロ-5-メチルピリダジン-3(2H)-オン6-(p-アミノフェニル)-4,5-ジヒドロ-5-メチル-3(2H)-ピリダジノン1,4-ジヒドロ-4-メチル-3-(4-アミノフェニル)ピリダジン-6(5H)-オン5-メチル-6-(4-アミノフェニル)-4,5-ジヒドロピリダジン-3(2H)-オン6-(4-アミノフェニル)-4,5-ジヒドロ-5-メチル-3(2H)-ピリダジノン6-(4-アミノフェニル)-5-メチル-2,3,4,5-テトラヒドロピリダジン-3-オン(R)-6-(4-aMinophenyl)-5-Methyl-4,5-dihydropyridazin-3(2H)-one6-(4-Amino-phenyLLevosimendan Impurity 5Levosimendan intermediate-4,5-dihydro-2H-pyridazin-3-one6-(4-Aminophenyl)-5-methylpyridazin-3(2H)one6-(4-AMINOPHENYL)-5-METHYLPYRIDAZIN-3(2H)ONE, 98+%6-(4-AMinophenyl)-4,5-dihydro-5-Methyl-3(2H)-pyrid

107295-33-03(4-Aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one6-(p-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone6-(4-aminophenyl)-5-methyl-2,3,4,5-tetrahydropyridazin-3-one6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3-ol4,5-dihydro-6-(4-aminophenyl)-5-methyl-3(2H)-pyridazinone6-(p-aminophenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinone6-(p-aminopheny

データベース識別子

CAS: 36725-28-7
PubChem CID: 161928
DTXSID: DTXSID10957950
ChEMBL: CHEMBL301353
UNII: RL82LR4KJ5
EC Number: 886-146-3
Nikkaji: J66.524J

物性

構造計算による物性

XLogP: 0.8
極性表面積: 67.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 280

物理化学的性質

融点: 194 to · 194.0 to 198.0 °C
比重(密度): 1.3 · 1.30±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: DMSO（わずかに）、メタノール（わずかに、超音波処理）
外見: 個体
酸解離定数(Pka): 13.9 · 13.90±0.60(Predicted)
色: 淡い黄色から茶色
InChI: InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)
InChIKey: NWUOGOISBQCNKQ-UHFFFAOYSA-N
SMILES: C1(=O)NN=C(C2=CC=C(N)C=C2)C(C)C1
CAS データベース: 36725 · 36725-28-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.