N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine

C₁₀H₁₆N₄ — CID 155545712

About N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine

N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine (PubChem CID 155545712) has the molecular formula C₁₀H₁₆N₄ and a molecular weight of 192.27 g/mol. Its IUPAC name is N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

• Compound Name: N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
• PubChem CID: 155545712
• Molecular Formula: C₁₀H₁₆N₄
• Molecular Weight: 192.27 g/mol
• Exact Mass: 192.14
• IUPAC Name: N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
• SMILES: C#CCN(C)CCc1cn(CC)nn1
• InChI: InChI=1S/C10H16N4/c1-4-7-13(3)8-6-10-9-14(5-2)12-11-10/h1,9H,5-8H2,2-3H3
• InChIKey: QFBOZTOFWRKCSY-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.27
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?

The IUPAC name of N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine (CID 155545712) is N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine.

What is the SMILES notation for N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?

The canonical SMILES for N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine is C#CCN(C)CCc1cn(CC)nn1.

What is the InChIKey of N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?

The InChIKey is QFBOZTOFWRKCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-4-7-13(3)8-6-10-9-14(5-2)12-11-10/h1,9H,5-8H2,2-3H3.

What are the key properties of N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine?

N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine has a molecular weight of 192.27 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 155545712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155545712 — identifiers, structure, computed properties (public domain)

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