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

C20H32N6O2 — CID 110055804

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

2-(3-ethoxypropyl)-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 110055804) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

• Compound Name: 2-(3-ethoxypropyl)-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine
• PubChem CID: 110055804
• Molecular Formula: C20H32N6O2
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.26
• IUPAC Name: 2-(3-ethoxypropyl)-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine
• SMILES: CCOCCC/N=C(\NCCc1ccco1)NC1CCc2nc(CC)nn2C1
• InChI: InChI=1S/C20H32N6O2/c1-3-18-24-19-9-8-16(15-26(19)25-18)23-20(21-11-6-13-27-4-2)22-12-10-17-7-5-14-28-17/h5,7,14,16H,3-4,6,8-13,15H2,1-2H3,(H2,21,22,23)
• InChIKey: SNLRAJSSDALZNW-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 89.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

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

The IUPAC name of 2-(3-ethoxypropyl)-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine (CID 110055804) is 2-(3-ethoxypropyl)-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine.

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

The canonical SMILES for 2-(3-ethoxypropyl)-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine is CCOCCC/N=C(\NCCc1ccco1)NC1CCc2nc(CC)nn2C1.

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

The InChIKey is SNLRAJSSDALZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-3-18-24-19-9-8-16(15-26(19)25-18)23-20(21-11-6-13-27-4-2)22-12-10-17-7-5-14-28-17/h5,7,14,16H,3-4,6,8-13,15H2,1-2H3,(H2,21,22,23).

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

2-(3-ethoxypropyl)-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 388.52 g/mol, XLogP of 1.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethoxypropyl)-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 110055804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).