基本情報
- CAS
154442-14-5- 標準SMILES
CC1=NNC(=O)N(N=Cc2cccnc2)C1- InChIKey
QHMTXANCGGJZRX-UHFFFAOYSA-N- 分子式
- C10H11N5O
- 平均分子量
- 217.23 g/mol
- 単同位体質量
- 217.09635997
名称と識別子
- 優先名称
- 4,5-Dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-1,2,4-triazin-3(2H)-one
- IUPAC
- 6-methyl-4-(pyridin-3-ylmethylideneamino)-2,5-dihydro-1,2,4-triazin-3-one
名称と別名
DTXSID20861276154442-14-54,5-Dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-1,2,4-triazin-3(2H)-one4,5-Dihydro-6-methyl-4-[(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-oneRefChem:1069387DTXCID50810419SCHEMBL264386-methyl-4-(pyridin-3-ylmethyleneamino)-4,5-dihydro-1,2,4-triazin-3(2H)-oneDB-041718AK-105/408379742,3,4,5-tetrahydro-3-oxo-4-[(pyridin-3-yl)-methyleneamino]-6-methyl-1,2,4-triazine2,3,4,5-tetrahydro-3-oxo-4-[(pyridine-3-yl)-methyleneamino]-6-methyl-1,2,4-triazine
名称をさらに表示
4,5-dihydro-6-methyl-4-[(3-pyridylmethylene)-amino]-1,2,4-triazin-3(2h)-one6-methyl-4-(pyridin-3-ylmethyleneamino)-4,5-dihydro-1,2,4-triazin-3(2H)-on6-methyl-4-(pyridin-3-ylmethyleneamino)-4,5-dihydro1,2,4-triazin- 3 (2H)-one6-methyl-4-[(3-pyridinylmethylene)amino]-4,5-dihydro-1,2,4-triazin-3(2H)-one6-Methyl-4-{[(pyridin-3-yl)methylidene]amino}-4,5-dihydro-1,2,4-triazin-3(2H)-one
データベース識別子
- CAS
154442-14-5- PubChem CID
- 86370
- DTXSID
DTXSID20861276
物性
構造計算による物性
- XLogP
- 0
- 極性表面積
- 70 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
- 16
- 形式電荷
- 0
- 複雑度
- 325
関連反応
10 件
化合物ノート
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