N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

C18H24F3N5O4S — CID 155833275

About N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155833275) has the molecular formula C18H24F3N5O4S and a molecular weight of 463.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155833275
• Molecular Formula: C18H24F3N5O4S
• Molecular Weight: 463.48 g/mol
• Exact Mass: 463.15
• IUPAC Name: N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
• SMILES: CN(C)C(=O)COCC1CN(Cc2cccs2)Cc2nnn(C)c21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H23N5O2S.C2HF3O2/c1-19(2)15(22)11-23-10-12-7-21(8-13-5-4-6-24-13)9-14-16(12)20(3)18-17-14;3-2(4,5)1(6)7/h4-6,12H,7-11H2,1-3H3;(H,6,7)
• InChIKey: NAJPEVHHUGHYCK-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 100.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.48
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (CID 155833275) is N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)COCC1CN(Cc2cccs2)Cc2nnn(C)c21.O=C(O)C(F)(F)F.

What is the InChIKey of N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is NAJPEVHHUGHYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S.C2HF3O2/c1-19(2)15(22)11-23-10-12-7-21(8-13-5-4-6-24-13)9-14-16(12)20(3)18-17-14;3-2(4,5)1(6)7/h4-6,12H,7-11H2,1-3H3;(H,6,7).

What are the key properties of N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?

N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 463.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).