기본 정보
- CAS
626221-27-0- 표준 SMILES
CCc1[nH]nc2c1C1(CCOC1C)C(C#N)=C(N)O2- InChIKey
CIUPEIIWGDUNAE-UHFFFAOYSA-N- 분자식
- C13H16N4O2
- 평균 분자량
- 260.29 g/mol
- 단동위원소 질량
- 260.12732577
이름 및 식별자
- 우선 이름
- 6'-Amino-3'-ethyl-4,5-dihydro-2-methylspiro[furan-3(2H),4'(2'H)-pyrano[2,3-c]pyrazole]-5'-carbonitrile
- IUPAC
- 6-amino-3-ethyl-2'-methylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile
이름 및 동의어
626221-27-06'-Amino-3'-ethyl-4,5-dihydro-2-methylspiro[furan-3(2H),4'(2'H)-pyrano[2,3-c]pyrazole]-5'-carbonitrile6'-Amino-3'-ethyl-4,5-dihydro-2-methylspiro(furan-3(2H),4'(2'H)-pyrano(2,3-c)pyrazole)-5'-carbonitrileRefChem:3059046'-amino-3'-ethyl-2-methyl-4,5-dihydro-2'H-spiro[furan-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrileSMR000014040MLS000033489CHEMBL1507559DTXSID001112496HMS2366E22STL041215AKOS003682646
이름 더 보기
6-amino-3-ethyl-2'-methylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrileST0716026-amino-3-ethyl-11-methylspiro[4H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbon itrile6'-AMINO-3'-ETHYL-2-METHYL-2'H-SPIRO[OXOLANE-3,4'-PYRANO[2,3-C]PYRAZOLE]-5'-CARBONITRILE6'-amino-3'-ethyl-2-methyl-4,5-dihydro-2H,2'H-spiro[furan-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile6a(2)-Amino-3a(2)-ethyl-4,5-dihydro-2-methylspiro[furan-3(2H),4a(2)(2a(2)H)-pyrano[2,3-c]pyrazole]-5a(2)-carbonitrile
데이터베이스 식별자
- CAS
626221-27-0- PubChem CID
- 646248
- DTXSID
DTXSID001112496
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 97 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 469
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