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

C14H25IN6 — CID 119162321

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

1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide (PubChem CID 119162321) has the molecular formula C14H25IN6 and a molecular weight of 404.30 g/mol. Its IUPAC name is 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
• PubChem CID: 119162321
• Molecular Formula: C14H25IN6
• Molecular Weight: 404.30 g/mol
• Exact Mass: 404.12
• IUPAC Name: 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
• SMILES: CCN/C(=N\CC1(C)CC1)NC1CCc2ncnn2C1.I
• InChI: InChI=1S/C14H24N6.HI/c1-3-15-13(16-9-14(2)6-7-14)19-11-4-5-12-17-10-18-20(12)8-11;/h10-11H,3-9H2,1-2H3,(H2,15,16,19);1H
• InChIKey: NVVCIBJMSIUSEG-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 67.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.30
LogP ≤ 5	1.57
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide (CID 119162321) is 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide.

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

The canonical SMILES for 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide is CCN/C(=N\CC1(C)CC1)NC1CCc2ncnn2C1.I.

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

The InChIKey is NVVCIBJMSIUSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6.HI/c1-3-15-13(16-9-14(2)6-7-14)19-11-4-5-12-17-10-18-20(12)8-11;/h10-11H,3-9H2,1-2H3,(H2,15,16,19);1H.

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

1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide has a molecular weight of 404.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide is sourced from PubChem (CID 119162321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).