1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[1-(4-pyridinyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
기본 정보
- CAS
1098593-67-9- 표준 SMILES
CCN(CC)Cc1c(C(=O)N/N=C(\C)c2ccncc2)nnn1-c1nonc1N- InChIKey
QCZRIKQRGTVBLC-RGVLZGJSSA-N- 분자식
- C17H22N10O2
- 평균 분자량
- 398.4 g/mol
이름 및 식별자
- 우선 이름
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[1-(4-pyridinyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
- IUPAC
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-N-[(E)-1-pyridin-4-ylethylideneamino]triazole-4-carboxamide
- 영어명
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[1-(4-pyridinyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
- 분자식
- C17H22N10O2
- 분자량
- 398.42
이름 및 동의어
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[1-(4-pyridinyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazideMLS001198502CHEMBL3194810STK673016AKOS001713259SMR000559098AG-205/36867031SR-01000117541SR-01000117541-11-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-N-[(E)-1-pyridin-4-ylethylideneamino]triazole-4-carboxamide1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(1E)-1-pyridin-4-ylethylidene]-1H-1,2,3-triazole-4-carbohydrazide
데이터베이스 식별자
- CAS
1098593-67-9- ChEMBL
CHEMBL3194810
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 566
물리화학적 성질
- 밀도
- 1.459 · 1.459±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 10.32 · 10.320±0.46(predicted)
관련 반응
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