1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone

C17H32N6O2 — CID 131690199

About 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone

1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 131690199) has the molecular formula C17H32N6O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone
• PubChem CID: 131690199
• Molecular Formula: C17H32N6O2
• Molecular Weight: 352.48 g/mol
• Exact Mass: 352.26
• IUPAC Name: 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone
• SMILES: CC(C)N(C)CC(=O)N1Cc2nnn(C)c2C(COCCN(C)C)C1
• InChI: InChI=1S/C17H32N6O2/c1-13(2)21(5)11-16(24)23-9-14(12-25-8-7-20(3)4)17-15(10-23)18-19-22(17)6/h13-14H,7-12H2,1-6H3
• InChIKey: YITKPBGYHDGXBW-UHFFFAOYSA-N
• XLogP: 0.16
• TPSA: 66.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.48
LogP ≤ 5	0.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone?

The IUPAC name of 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone (CID 131690199) is 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone.

What is the SMILES notation for 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone?

The canonical SMILES for 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone is CC(C)N(C)CC(=O)N1Cc2nnn(C)c2C(COCCN(C)C)C1.

What is the InChIKey of 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone?

The InChIKey is YITKPBGYHDGXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O2/c1-13(2)21(5)11-16(24)23-9-14(12-25-8-7-20(3)4)17-15(10-23)18-19-22(17)6/h13-14H,7-12H2,1-6H3.

What are the key properties of 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone?

1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 352.48 g/mol, XLogP of 0.16, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 131690199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).