5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine

C9H18N4O2 — CID 79542238

IUPAC5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine
SMILESCCc1c(N)nnn1CCOCCOC
InChIInChI=1S/C9H18N4O2/c1-3-8-9(10)11-12-13(8)4-5-15-7-6-14-2/h3-7,10H2,1-2H3
InChIKeyYALREFUUGBFWIX-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.09
Rot. Bonds7

About 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine

5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine (PubChem CID 79542238) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine
PubChem CID79542238
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine
SMILESCCc1c(N)nnn1CCOCCOC
InChIInChI=1S/C9H18N4O2/c1-3-8-9(10)11-12-13(8)4-5-15-7-6-14-2/h3-7,10H2,1-2H3
InChIKeyYALREFUUGBFWIX-UHFFFAOYSA-N
XLogP0.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-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 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine (CID 79542238) is 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine is CCc1c(N)nnn1CCOCCOC.
What is the InChIKey of 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine?
The InChIKey is YALREFUUGBFWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-3-8-9(10)11-12-13(8)4-5-15-7-6-14-2/h3-7,10H2,1-2H3.
What are the key properties of 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine?
5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine has a molecular weight of 214.27 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine is sourced from PubChem (CID 79542238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).