기본 정보
- 표준 SMILES
Cc1cc(C(=O)NCCn2ccnn2)c(C=O)[nH]1- InChIKey
HCPDXAGPVLIQPB-UHFFFAOYSA-N- 분자식
- C11H13N5O2
- 평균 분자량
- 247.25 g/mol
이름 및 식별자
- 우선 이름
- 2-formyl-5-methyl-1H-pyrrole-3 carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)-amide
- IUPAC
- 2-formyl-5-methyl-N-[2-(triazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide
이름 및 동의어
2-formyl-5-methyl-1H-pyrrole-3-carboxylic acid (2-(1,2,3]triazol-1-yl-ethyl)-amide2-formyl-5-methyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3)triazol-1-yl-ethyl)-amide2-formyl-5-methyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)-amideHCPDXAGPVLIQPB-UHFFFAOYSA-N2-formyl-5-methyl-1 H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)-amide2-formyl-5-methyl-1H-pyrrole-3 carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)-amide2-formyl-5-methyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)amide
데이터베이스 식별자
- PubChem CID
- 20761619
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 92.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 312
관련 반응
33건
화합물 노트
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