1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine

C26H30N6 — CID 109389810

About 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine

1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine (PubChem CID 109389810) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine.

Molecular Properties

• Compound Name: 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
• PubChem CID: 109389810
• Molecular Formula: C26H30N6
• Molecular Weight: 426.57 g/mol
• Exact Mass: 426.25
• IUPAC Name: 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
• SMILES: C/N=C(/NCCCc1nnc2ccccn12)NCC(Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H30N6/c1-27-26(28-17-10-16-25-31-30-24-15-8-9-18-32(24)25)29-20-23(22-13-6-3-7-14-22)19-21-11-4-2-5-12-21/h2-9,11-15,18,23H,10,16-17,19-20H2,1H3,(H2,27,28,29)
• InChIKey: RLSWHZRILCGNFQ-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 66.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.57
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine?

The IUPAC name of 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine (CID 109389810) is 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine.

What is the SMILES notation for 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine?

The canonical SMILES for 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine is C/N=C(/NCCCc1nnc2ccccn12)NCC(Cc1ccccc1)c1ccccc1.

What is the InChIKey of 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine?

The InChIKey is RLSWHZRILCGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6/c1-27-26(28-17-10-16-25-31-30-24-15-8-9-18-32(24)25)29-20-23(22-13-6-3-7-14-22)19-21-11-4-2-5-12-21/h2-9,11-15,18,23H,10,16-17,19-20H2,1H3,(H2,27,28,29).

What are the key properties of 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine?

1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine has a molecular weight of 426.57 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine is sourced from PubChem (CID 109389810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).