기본 정보
- CAS
1006326-97-1- 표준 SMILES
Cc1cc(-c2nnc(SCC(=O)NN)n2CC2CCCO2)nn1C- InChIKey
HZIUPBMEEVYDGY-UHFFFAOYSA-N- 분자식
- C14H21N7O2S
- 평균 분자량
- 351.43 g/mol
- 단동위원소 질량
- 351.14774411
이름 및 식별자
- 우선 이름
- 2-{[5-(1,5-Dimethyl-1H-pyrazol-3-YL)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-YL]thio}acetohydrazide
- IUPAC
- 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
- 영어명
- 2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]thio}acetohydrazide
- 분자식
- C14H21N7O2S
- 분자량
- 351.43
이름 및 동의어
1006326-97-12-((5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide2-([5-(1,5-DIMETHYL-1H-PYRAZOL-3-YL)-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,+2-{[5-(1,5-DIMETHYL-1H-PYRAZOL-3-YL)-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETOHYDRAZIDE2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazideMFCD06740525C14H21N7O2S2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazideGQB32697SBB020743STK349134AKOS000308504
이름 더 보기
2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl )methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazideAcetic acid, 2-[[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]-, hydrazide
CS-0280880EN300-2285852-[[5-(1,5-dimethylpyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide2-[5-(1,5-dimethylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-ylthio]a cetohydrazide2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(tetrahydrofuran-2-yl)methyl]-4H-1,2,4-triazol-3-ylsulfanyl]-acetic acid hydrazide
데이터베이스 식별자
- CAS
1006326-97-1- PubChem CID
- 19616359
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 443
물리화학적 성질
- 밀도
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.7 · 11.70±0.37(Predicted)
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