6-Piperazin-1-yl-pyridazin-3-carboxylic acid (3-methylbutyl)amide

HCID 66849322

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)CCNC(=O)c1ccc(N2CCNCC2)nn1
InChIKey: MUWNXFOPQGBORK-UHFFFAOYSA-N
분자식: C14H23N5O
평균 분자량: 277.37 g/mol

이름 및 식별자

우선 이름: 6-Piperazin-1-yl-pyridazin-3-carboxylic acid (3-methylbutyl)amide
IUPAC: N-(3-methylbutyl)-6-piperazin-1-ylpyridazine-3-carboxamide

이름 및 동의어

SCHEMBL936566MUWNXFOPQGBORK-UHFFFAOYSA-N6-piperazin-1-yl-pyridazin-3-carboxylic acid (3-methylbutyl)amide6-piperazin-1-yl-pyridazine-3-carboxylic acid (3-methylbutyl)amide6-piperazin-1-ylpyridazine-3-carboxylic acid (3-methylbutyl)amide

데이터베이스 식별자

PubChem CID: 66849322

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 70.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 304

관련 반응

122건

반응 기록 만들기

HRID 96947반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 165586반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 172214반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 187959반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 290366반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 295391반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 310773반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 314501반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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