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

C10H16N4 — CID 155545712

IUPACN-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)CCc1cn(CC)nn1
InChIInChI=1S/C10H16N4/c1-4-7-13(3)8-6-10-9-14(5-2)12-11-10/h1,9H,5-8H2,2-3H3
InChIKeyQFBOZTOFWRKCSY-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.41
Rot. Bonds5

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 NameN-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
PubChem CID155545712
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)CCc1cn(CC)nn1
InChIInChI=1S/C10H16N4/c1-4-7-13(3)8-6-10-9-14(5-2)12-11-10/h1,9H,5-8H2,2-3H3
InChIKeyQFBOZTOFWRKCSY-UHFFFAOYSA-N
XLogP0.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).