기본 정보
- 표준 SMILES
Cc1[nH]c(C=O)c(C)c1C(=O)NCCn1ccnn1- InChIKey
DVAGMLTYQAJDEP-UHFFFAOYSA-N- 분자식
- C12H15N5O2
- 평균 분자량
- 261.28 g/mol
이름 및 식별자
- 우선 이름
- 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3)triazol-1-yl-ethyl)amide
- IUPAC
- 5-formyl-2,4-dimethyl-N-[2-(triazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide
이름 및 동의어
5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3)triazol-1-yl-ethyl)amide5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)amideDVAGMLTYQAJDEP-UHFFFAOYSA-N5-formyl-2,4-dimethyl-1 H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1 -yl-ethyl)-amide5-formyl-2,4-dimethyl-1 H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)-amide5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3]-triazol-1-yl-ethyl)-amide5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol- 1-yl-ethyl)-amide5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)-amide
데이터베이스 식별자
- PubChem CID
- 20761730
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 92.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 338
관련 반응
36건
화합물 노트
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