3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one

3-氨基-1-[5,6-二氢-3-(三氟甲基)-1,2,4-三唑并[4,3-a]吡嗪-7(8H)-基]-4-(2,4,5-三氟苯基)丁-2-烯-1-酮

Also known as: Sitagliptin intermediate, 3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one, 7-[1-Oxo-3-amino-4-(2,4,5-trifluorophenyl)but-2-enyl]-3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine, 2-Buten-1-one, 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (2Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one, (2E)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one (alternative geometry), 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-Buten-1-one, Sitagliptin Impurity 41

3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one (CAS 847445-81-2) is a compound in the Ketones category listed in the Jingsj chemical database. It has the molecular formula C16H13F6N5O and a molecular weight of 405.298 g/mol. It is also known as Sitagliptin intermediate, 3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one and 7-[1-Oxo-3-amino-4-(2,4,5-trifluorophenyl)but-2-enyl]-3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine. Key properties include a boiling point of 555.1±60.0 °C at 760 mmHg, a density of 1.6±0.1 g/cm3 and a flash point of 289.5±32.9 °C. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 847445-81-2
Jingsj CID: J-1307152-9
Molecular Formula: C₁₆H₁₃F₆N₅O
Chinese Name: 3-氨基-1-[5,6-二氢-3-(三氟甲基)-1,2,4-三唑并[4,3-a]吡嗪-7(8H)-基]-4-(2,4,5-三氟苯基)丁-2-烯-1-酮
Molecular Weight: 405.298 g/mol
Category: Ketones
Last updated: 8/21/2026

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Physicochemical Properties

Boiling Point	555.1±60.0 °C at 760 mmHg
Density	1.6±0.1 g/cm3
Flash Point	289.5±32.9 °C

Frequently Asked Questions

What is the CAS number of 3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one?

The CAS number of 3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one is 847445-81-2.

What are the molecular formula and molecular weight of 3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one?

3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one has molecular formula C16H13F6N5O and molecular weight 405.298 g/mol.

Data compiled from public chemical databases and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one (CAS 847445-81-2)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1307152-9 (accessed 2026-10-24).

Data for reference only; verify specifications, grades and regulatory status with suppliers before purchase.