6-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

HCID 1476862

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1nnc2ccc(N3CCNCC3)nn12
InChIKey: XECIZQVFPVPNOD-UHFFFAOYSA-N
분자식: C10H11F3N6
평균 분자량: 272.23 g/mol

이름 및 식별자

우선 이름: 6-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
IUPAC: 6-piperazin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

이름 및 동의어

338748-56-46-piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazineMFCD013159471-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine6-piperazin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazineSCHEMBL2266118AKOS0050903194M-7646-(piperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine6-(piperazin-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

데이터베이스 식별자

PubChem CID: 1476862

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 58.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 319

관련 반응

265건

반응 기록 만들기

HRID 87115 반응식

HRID 87115반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 98277 반응식

HRID 98277반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 103077 반응식

HRID 103077반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 104357 반응식

HRID 104357반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 110692 반응식

HRID 110692반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 112227 반응식

HRID 112227반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 113956 반응식

HRID 113956반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 118731 반응식

HRID 118731반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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