1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
기본 정보
- CAS
352446-61-8- 표준 SMILES
Nc1nonc1-n1nnc(C(=O)O)c1CN1CCCC1- InChIKey
PJPZKZPMZWJYAO-UHFFFAOYSA-N- 분자식
- C10H13N7O3
- 평균 분자량
- 279.26 g/mol
- 단동위원소 질량
- 279.1079873
이름 및 식별자
- 우선 이름
- 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylic acid
이름 및 동의어
352446-61-81-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carboxylic acidRefChem:2247691-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylic acid1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(pyrrolidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-Oprea1_022960SCHEMBL7418692PJPZKZPMZWJYAO-UHFFFAOYSA-NDTXSID801119058CCG-25418
이름 더 보기
STK679324AKOS001685225ST45385734SR-01000087502SR-01000087502-11H-[1,2,3]Triazole-4-carboxylic acid, 1-(4-aminofurazan-3-yl)-5-pyrrolidin-1-ylmethyl-
데이터베이스 식별자
- CAS
352446-61-8- PubChem CID
- 1239305
- DTXSID
DTXSID801119058
물성
구조 계산 물성
- XLogP
- -2.9
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 365
관련 반응
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