ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate

C16H13F3N4O3 — CID 134544072

About ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate

ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate (PubChem CID 134544072) has the molecular formula C16H13F3N4O3 and a molecular weight of 366.30 g/mol. Its IUPAC name is ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
• PubChem CID: 134544072
• Molecular Formula: C16H13F3N4O3
• Molecular Weight: 366.30 g/mol
• Exact Mass: 366.09
• IUPAC Name: ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
• SMILES: CCOC(=O)Cc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12
• InChI: InChI=1S/C16H13F3N4O3/c1-2-25-15(24)7-13-21-22-14-8-20-12(9-23(13)14)10-3-5-11(6-4-10)26-16(17,18)19/h3-6,8-9H,2,7H2,1H3
• InChIKey: JXRNFJAMJXWXOS-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 78.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.30
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate?

The IUPAC name of ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate (CID 134544072) is ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate.

What is the SMILES notation for ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate?

The canonical SMILES for ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate is CCOC(=O)Cc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.

What is the InChIKey of ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate?

The InChIKey is JXRNFJAMJXWXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3/c1-2-25-15(24)7-13-21-22-14-8-20-12(9-23(13)14)10-3-5-11(6-4-10)26-16(17,18)19/h3-6,8-9H,2,7H2,1H3.

What are the key properties of ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate?

ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate has a molecular weight of 366.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate is sourced from PubChem (CID 134544072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).