Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester

HCID 57518450

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N1CCn2c(cnc2C(F)(F)F)C1
InChIKey
OQUGNDVVOSOMMQ-UHFFFAOYSA-N
분자식
C12H16F3N3O2
평균 분자량
291.27 g/mol
단동위원소 질량
291.11946125

이름 및 식별자

우선 이름
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
IUPAC
tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

이름 및 동의어

1152440-01-1imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl esterSCHEMBL28557817-Boc-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazineMFCD27992968SY407493DB-3883513-trifluoromethyl-5,6-dihydro-8H-imidazo[1,5-a]pyrazine-7-carboxylic acid tert-butyl estertert-butyl 3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylatetert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

데이터베이스 식별자

PubChem CID
57518450

물성

구조 계산 물성

XLogP
1.4
극성 표면적
47.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
20

관련 반응

4건

화합물 노트

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Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester (HCID 57518450)|Huagongshe