2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile

HCID 44512896

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1029714-87-1
標準SMILES: N#Cc1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIKey: DCHLMGJQDKHZLO-UHFFFAOYSA-N
分子式: C22H13FN6
平均分子量: 380.4 g/mol
単同位体質量: 380.1185726

名称と識別子

優先名称: 2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile
IUPAC: 2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile
英語名: 2-fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzonitrile
分子式: C22H13FN6
分子量: 380.38

名称と別名

2-Fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzonitrile2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile2-Fluoro-4-(7-(quinolin-6-ylmethyl)imidazo(1,2-b)(1,2,4)triazin-2-yl)benzonitrileRefChem:472308812-406-21029714-87-1Benzonitrile, 2-fluoro-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-JZ89E357LDSCHEMBL1697118DCHLMGJQDKHZLO-UHFFFAOYSA-NDTXSID001035662DB-182156

名称をさらに表示

2-Fluoro-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzo-nitrile

データベース識別子

CAS: 1029714-87-1
PubChem CID: 44512896
DTXSID: DTXSID001035662
UNII: JZ89E357LD
EC Number: 812-406-2

物性

構造計算による物性

XLogP: 3.4
極性表面積: 79.8 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 29
形式電荷: 0
複雑度: 622

物理化学的性質

蒸気圧: 0.002 · 0.002-0.007Pa at 20-25℃
LogP: 2.9 at · 2.9 at 20℃ and pH7

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.