tert-Butyl ((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)carbamate

HCID 57691389

기본 정보

표준 SMILES
CC(C)(C)OC(=O)NCc1nnc2ccc(Cl)nn12
InChIKey
VHQMHNOTRSUPFO-UHFFFAOYSA-N
분자식
C11H14ClN5O2
평균 분자량
283.71 g/mol

이름 및 식별자

우선 이름
tert-Butyl ((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)carbamate
IUPAC
tert-butyl N-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate

이름 및 동의어

1002310-30-6tert-Butyl ((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)carbamatetert-butyl (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamatetert-butyl N-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamatetert-Butyl [(6-chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamatetert-butyl N-({6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)carbamateMFCD18837667SCHEMBL9910498VHQMHNOTRSUPFO-UHFFFAOYSA-NALBB-032471AKOS027428780DA-16545
이름 더 보기
LS-12051W12927F807135t-Butyl ((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)carbamatetert-butyl ((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)carbamate(WXC04980)tert-Butyl((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)carbamateCarbamic acid, N-[(6-chloro-1,2,4-triazolo[4,3-b]pyridazin-3-yl)methyl]-, 1,1-dimethylethyl ester

데이터베이스 식별자

PubChem CID
57691389

물성

구조 계산 물성

XLogP
1.2
극성 표면적
81.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
19

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