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

HCID 11961371CAS 762240-92-6

基本情報

標準SMILES: Cl.FC(F)(F)c1nnc2n1CCNC2
InChIKey: AQCSCRYRCRORET-UHFFFAOYSA-N
分子式: C6H8ClF3N4
平均分子量: 228.6 g/mol
単同位体質量: 228.0389586

名称と識別子

優先名称: 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
IUPAC: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

名称と別名

762240-92-63-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochlorideY0OF5KV5KAUNII-Y0OF5KV5KAEC 616-309-43-(Trifluoromethyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine hydrochloride (1:1)3-(Trifluoromethyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine hydrochloride1,2,4-TRIAZOLO(4,3-A)PYRAZINE, 5,6,7,8-TETRAHYDRO-3-(TRIFLUOROMETHYL)-, HYDROCHLORIDE (1:1)3-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine hydrochloride (1:1)1,2,4-Triazolo[4,3-a]pyrazine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)-, hydrochloride (1:1)RefChem:927483-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

名称をさらに表示

MFCD09817638Sitagliptin Impurity 183-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine hydrochloride3-(Trifluoromethyl)Sitagliptin Triazole Hydrochloride3-trifluoromethyl-5,6,7,8-tetrahydro-[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-5,6,7,8-tetrahydro-1,2,4-triazolo-[4,3-a]pyrazine hydrochloride

データベース識別子

CAS: 762240-92-6
PubChem CID: 11961371
DTXSID: DTXSID20474800
ChEMBL: CHEMBL6144771
UNII: Y0OF5KV5KA
EC Number: 616-309-4

物性

構造計算による物性

極性表面積: 42.7 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 195

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 35 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.