ChemComp-K3J: N-ethyl-6-methylpyridazin-3-amine

基本情報

• 登録情報: データベース: PDB化学物質要素 / ID: K3J
• 名称: 名称: N-ethyl-6-methylpyridazin-3-amine

Chemical information

組成

組成式: C₇H₁₁N₃ / 原子数: 21 / 化学式量: 137.182 / 形式電荷: 0

その他

5qk5

タイプ: NON-POLYMER / PDB分類: HETAIN / 3文字コード: K3J / 理論座標の詳細: Corina / モデル座標のPDB-ID: 5QK5

履歴

作成	2018年10月25日
公開	2018年12月19日

• 外部リンク: UniChem / ChemSpider / PubChem / SureChEMBL / Wikipedia search / Google search

詳細

SMILES

• ACDLabs 12.01: n1nc(NCC)ccc1C
• CACTVS 3.385: CCNc1ccc(C)nn1
• OpenEye OEToolkits 2.0.6: CCNc1ccc(nn1)C

SMILES CANONICAL

• CACTVS 3.385: CCNc1ccc(C)nn1
• OpenEye OEToolkits 2.0.6: CCNc1ccc(nn1)C

InChI

• InChI 1.03: InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10)

InChIKey

• InChI 1.03: RNOJUWVVUNEZSV-UHFFFAOYSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N-ethyl-6-methylpyridazin-3-amine
• OpenEye OEToolkits 2.0.6: ~{N}-ethyl-6-methyl-pyridazin-3-amine

PDBエントリ

全5件を表示しています

PDB-5qk5:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1267773786

PDB-5qsz:
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z1267773786

PDB-7hoc:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z802821712 (A71EV2A-x0437)

PDB-7hu6:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z802821712

PDB-9f4r:
UP1 in complex with Z802821712