CAS 762240-92-6|3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride|3-Trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo-[4,3-a]pyrazine hydrochloride|3-(trifluoromethyl)-5H,...

基本信息

化学结构

分子式

C₆H₈ClF₃N₄

分子量

228.6027296

精确质量

228.03895862

电荷

InChI

InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h10H,1-3H2;1H

InChIKey

AQCSCRYRCRORET-UHFFFAOYSA-N

Canonic Smiles

FC(c1nnc2n1CCNC2)(F)F.Cl

Isomeric Smiles

c12CNCCn1c(nn2)C(F)(F)F.Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-1.3178045

LogD (pH = 7.4)

-0.23367569

Log P

-0.1666161

摩尔折射率

40.1826

极化性

13.97318

极化表面积

42.74

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

别名

3-Trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo-[4,3-a]pyrazine hydrochloride5,6,7,8-Tetrahydro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyrazine hydrochloride3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride3-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]piperazine hydrochloride5,6,7,8-Tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine Monohydrochloride3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

IUPAC标准名

3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

名称和标识

数据登录号

MDL号

CAS号

PubChem CID

PubChem SID