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

• CAS: 762240-92-6
• Catalog Number: ACM762240926
• Category: Pyrazines
• Molecular Weight: 228.0
• Molecular Formula: C6H8ClF3N4
• Appearance: White powder

Custom Q&A

What is the molecular formula of 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride?

The molecular formula is C6H8ClF3N4.

When was 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride first created?

It was first created on December 11, 2006.

What are some synonyms for 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride?

Some synonyms include Sitagliptin Impurity 18 and 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine hydrochloride.

What is the molecular weight of 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride?

The molecular weight is 228.60 g/mol.

What is the InChIKey of 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride?

The InChIKey is AQCSCRYRCRORET-UHFFFAOYSA-N.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation is C1CN2C(=NN=C2C(F)(F)F)CN1.Cl.

What is the UNII number associated with 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride?

The UNII number is Y0OF5KV5KA.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the exact mass of 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride?

The exact mass is 228.0389585 g/mol.

How many rotatable bond counts does the compound have?

The compound has 0 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 763105-70-0

• 762240-92-6

Reference: [1]Organic Letters,2005,vol. 7,p. 1039 - 1042

Downstream Synthesis Route 1

• 764667-64-3
• 762240-92-6

• 764667-65-4

Reference: [1]Patent: WO2011/25932,2011,A2 .Location in patent: Page/Page column 17

Downstream Synthesis Route 2

• 209995-38-0
• 762240-92-6

• 764667-65-4

Reference: [1]Patent: WO2005/3135,2005,A1 .Location in patent: Page 12-13

* For details of the synthesis route, please refer to the original source to ensure accuracy.