기본 정보
- CAS
159383-37-6- 표준 SMILES
Cc1nc(CN2CCCC2=NC#N)n(-c2ccccc2)n1- InChIKey
RJNRCAWWBCOWIY-UHFFFAOYSA-N- 분자식
- C15H16N6
- 평균 분자량
- 280.33 g/mol
- 단동위원소 질량
- 280.14364454
이름 및 식별자
- 우선 이름
- (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
- IUPAC
- [1-[(5-methyl-2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-ylidene]cyanamide
이름 및 동의어
159383-37-6(1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide1-((1-Phenyl-3-methyl-1,2,4-triazolyl-5)methyl)-2-cyaniminopyrrolidineCyanamide, (1-((3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)-SMR000103340[1-[(5-methyl-2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-ylidene]cyanamideMLS000106373CHEMBL3209154HMS2465M13STL356331AKOS0016231251-[(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyrrolidinylidenecyanamide
이름 더 보기
AH-262/36680020SR-01000080800SR-01000207337SR-01000080800-1SR-01000207337-1(E)-N-(1-((3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)pyrrolidin-2-ylidene)cyanamide{(2E)-1-[(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-ylidene}cyanamide
데이터베이스 식별자
- CAS
159383-37-6- PubChem CID
- 759769
- ChEMBL
CHEMBL3209154- Nikkaji
- J543.836E
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 433
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