[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid

C19H27F3N6O4 — CID 155859425

About [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid

[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155859425) has the molecular formula C19H27F3N6O4 and a molecular weight of 460.46 g/mol. Its IUPAC name is [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155859425
• Molecular Formula: C19H27F3N6O4
• Molecular Weight: 460.46 g/mol
• Exact Mass: 460.20
• IUPAC Name: [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
• SMILES: CCOCC1CN(C(=O)c2cc(C)nn2CC)Cc2nnn(CC)c21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H26N6O2.C2HF3O2/c1-5-22-15(8-12(4)19-22)17(24)21-9-13(11-25-7-3)16-14(10-21)18-20-23(16)6-2;3-2(4,5)1(6)7/h8,13H,5-7,9-11H2,1-4H3;(H,6,7)
• InChIKey: CMCOPTKWTSHNDI-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 115.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.46
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 155859425) is [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid is CCOCC1CN(C(=O)c2cc(C)nn2CC)Cc2nnn(CC)c21.O=C(O)C(F)(F)F.

What is the InChIKey of [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?

The InChIKey is CMCOPTKWTSHNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2.C2HF3O2/c1-5-22-15(8-12(4)19-22)17(24)21-9-13(11-25-7-3)16-14(10-21)18-20-23(16)6-2;3-2(4,5)1(6)7/h8,13H,5-7,9-11H2,1-4H3;(H,6,7).

What are the key properties of [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?

[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 460.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155859425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).