2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine

C14H24N6O — CID 111137721

About 2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine

2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine (PubChem CID 111137721) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine.

Molecular Properties

• Compound Name: 2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
• PubChem CID: 111137721
• Molecular Formula: C14H24N6O
• Molecular Weight: 292.39 g/mol
• Exact Mass: 292.20
• IUPAC Name: 2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
• SMILES: C/N=C(/NCc1nnc2n1CCCC2)NCC1CCCO1
• InChI: InChI=1S/C14H24N6O/c1-15-14(16-9-11-5-4-8-21-11)17-10-13-19-18-12-6-2-3-7-20(12)13/h11H,2-10H2,1H3,(H2,15,16,17)
• InChIKey: DOFBXOGZJVRQPC-UHFFFAOYSA-N
• XLogP: 0.46
• TPSA: 76.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.39
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine?

The IUPAC name of 2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine (CID 111137721) is 2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine.

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

The canonical SMILES for 2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine is C/N=C(/NCc1nnc2n1CCCC2)NCC1CCCO1.

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

The InChIKey is DOFBXOGZJVRQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-15-14(16-9-11-5-4-8-21-11)17-10-13-19-18-12-6-2-3-7-20(12)13/h11H,2-10H2,1H3,(H2,15,16,17).

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

2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine has a molecular weight of 292.39 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine is sourced from PubChem (CID 111137721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).