2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N5O2 — CID 61109249

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61109249) has the molecular formula C11H18F3N5O2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 61109249
• Molecular Formula: C11H18F3N5O2
• Molecular Weight: 309.29 g/mol
• Exact Mass: 309.14
• IUPAC Name: 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCOCCCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
• InChI: InChI=1S/C11H18F3N5O2/c1-2-21-5-3-4-18(7-11(12,13)14)9(20)6-19-8-16-10(15)17-19/h8H,2-7H2,1H3,(H2,15,17)
• InChIKey: YCALZWKDMYUIHE-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 86.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.29
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 61109249) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide is CCOCCCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1.

What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is YCALZWKDMYUIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O2/c1-2-21-5-3-4-18(7-11(12,13)14)9(20)6-19-8-16-10(15)17-19/h8H,2-7H2,1H3,(H2,15,17).

What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 309.29 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61109249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).