1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide

C20H34IN7O — CID 111016344

About 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide

1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide (PubChem CID 111016344) has the molecular formula C20H34IN7O and a molecular weight of 515.44 g/mol. Its IUPAC name is 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
• PubChem CID: 111016344
• Molecular Formula: C20H34IN7O
• Molecular Weight: 515.44 g/mol
• Exact Mass: 515.19
• IUPAC Name: 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1nnc2ccccn12)NCC(CC(C)C)N1CCOCC1.I
• InChI: InChI=1S/C20H33N7O.HI/c1-4-21-20(23-15-19-25-24-18-7-5-6-8-27(18)19)22-14-17(13-16(2)3)26-9-11-28-12-10-26;/h5-8,16-17H,4,9-15H2,1-3H3,(H2,21,22,23);1H
• InChIKey: VYQJKFMDCWCGGN-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 79.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.44
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide?

The IUPAC name of 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide (CID 111016344) is 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1nnc2ccccn12)NCC(CC(C)C)N1CCOCC1.I.

What is the InChIKey of 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide?

The InChIKey is VYQJKFMDCWCGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7O.HI/c1-4-21-20(23-15-19-25-24-18-7-5-6-8-27(18)19)22-14-17(13-16(2)3)26-9-11-28-12-10-26;/h5-8,16-17H,4,9-15H2,1-3H3,(H2,21,22,23);1H.

What are the key properties of 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide?

1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 515.44 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111016344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).