3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine

C14H20N4OS — CID 71995354

IUPAC3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine
SMILESCOCCc1nnc(SC(C)c2cccc(C)c2)n1N
InChIInChI=1S/C14H20N4OS/c1-10-5-4-6-12(9-10)11(2)20-14-17-16-13(18(14)15)7-8-19-3/h4-6,9,11H,7-8,15H2,1-3H3
InChIKeyHBJQOMIRPHKYKP-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.34
Rot. Bonds6

About 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine

3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 71995354) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID71995354
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine
SMILESCOCCc1nnc(SC(C)c2cccc(C)c2)n1N
InChIInChI=1S/C14H20N4OS/c1-10-5-4-6-12(9-10)11(2)20-14-17-16-13(18(14)15)7-8-19-3/h4-6,9,11H,7-8,15H2,1-3H3
InChIKeyHBJQOMIRPHKYKP-UHFFFAOYSA-N
XLogP2.34
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-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 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine (CID 71995354) is 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine is COCCc1nnc(SC(C)c2cccc(C)c2)n1N.
What is the InChIKey of 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is HBJQOMIRPHKYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-5-4-6-12(9-10)11(2)20-14-17-16-13(18(14)15)7-8-19-3/h4-6,9,11H,7-8,15H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine?
3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[1-(3-methylphenyl)ethylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 71995354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).