1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine

C15H28N6 — CID 111995525

About 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine

1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine (PubChem CID 111995525) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine.

Molecular Properties

• Compound Name: 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
• PubChem CID: 111995525
• Molecular Formula: C15H28N6
• Molecular Weight: 292.43 g/mol
• Exact Mass: 292.24
• IUPAC Name: 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
• SMILES: CCN/C(=N\CC(CC)CC)NC1CCc2ncnn2C1
• InChI: InChI=1S/C15H28N6/c1-4-12(5-2)9-17-15(16-6-3)20-13-7-8-14-18-11-19-21(14)10-13/h11-13H,4-10H2,1-3H3,(H2,16,17,20)
• InChIKey: YWCDFVQUMLBMHL-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 67.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.43
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine?

The IUPAC name of 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine (CID 111995525) is 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine.

What is the SMILES notation for 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine?

The canonical SMILES for 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine is CCN/C(=N\CC(CC)CC)NC1CCc2ncnn2C1.

What is the InChIKey of 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine?

The InChIKey is YWCDFVQUMLBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-4-12(5-2)9-17-15(16-6-3)20-13-7-8-14-18-11-19-21(14)10-13/h11-13H,4-10H2,1-3H3,(H2,16,17,20).

What are the key properties of 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine?

1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine has a molecular weight of 292.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-(2-ethylbutyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine is sourced from PubChem (CID 111995525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).