3,4-Dimethoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
기본 정보
- CAS
307507-51-3- 표준 SMILES
COc1ccc(/C=N/Nc2nc(=O)[nH]nc2C)cc1OC- InChIKey
RDUHDVYPHAQPMC-VGOFMYFVSA-N- 분자식
- C13H15N5O3
- 평균 분자량
- 289.29 g/mol
- 단동위원소 질량
- 289.11748936
개요
5-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is a dimethoxybenzene.
이름 및 식별자
- 우선 이름
- 3,4-Dimethoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
- IUPAC
- 5-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
이름 및 동의어
3,4-dimethoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone5-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one307507-51-3MLS000777027CHEMBL3199297CHEBI:115591DTXSID001321485STL559672AKOS001673407AKOS037516695SMR000413417ST50188691
이름 더 보기
SR-01000110592SR-01000110592-1(E)-5-(2-(3,4-dimethoxybenzylidene)hydrazinyl)-6-methyl-1,2,4-triazin-3(2H)-one5-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-3-ol5-{[(1E)-2-(3,4-dimethoxyphenyl)-1-azavinyl]amino}-6-methyl-2H-1,2,4-triazin-3 -one5-{(2E)-2-[(3,4-Dimethoxyphenyl)methylidene]hydrazinyl}-6-methyl-1,2,4-triazin-3(2H)-one5-{N'-[1-(3,4-Dimethoxy-phenyl)-meth-(E)-ylidene]-hydrazino}-6-methyl-2H-[1,2,4]triazin-3-one
데이터베이스 식별자
- CAS
307507-51-3- PubChem CID
- 9582673
- DTXSID
DTXSID001321485- ChEMBL
CHEMBL3199297- ChEBI
CHEBI:115591
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 96.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 474
실험 및 물리화학적 성질
Solubility8.6 [ug/mL] (The mean of the results at pH 7.4)
관련 반응
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