3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide

C19H35IN6O3 — CID 111748321

About 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide

3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111748321) has the molecular formula C19H35IN6O3 and a molecular weight of 522.43 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
• PubChem CID: 111748321
• Molecular Formula: C19H35IN6O3
• Molecular Weight: 522.43 g/mol
• Exact Mass: 522.18
• IUPAC Name: 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(/NCCCn1nc2n(c1=O)CCCC2)N1CCC(COCCOC)C1.I
• InChI: InChI=1S/C19H34N6O3.HI/c1-20-18(23-11-7-16(14-23)15-28-13-12-27-2)21-8-5-10-25-19(26)24-9-4-3-6-17(24)22-25;/h16H,3-15H2,1-2H3,(H,20,21);1H
• InChIKey: DZQRMVIXMHDUEB-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 85.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.43
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide?

The IUPAC name of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111748321) is 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide?

The canonical SMILES for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCCCn1nc2n(c1=O)CCCC2)N1CCC(COCCOC)C1.I.

What is the InChIKey of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide?

The InChIKey is DZQRMVIXMHDUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O3.HI/c1-20-18(23-11-7-16(14-23)15-28-13-12-27-2)21-8-5-10-25-19(26)24-9-4-3-6-17(24)22-25;/h16H,3-15H2,1-2H3,(H,20,21);1H.

What are the key properties of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide?

3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 522.43 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111748321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).