3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine

C14H20N4OS — CID 660077

IUPAC3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
SMILESCCCc1nnc(SCc2ccc(OCC)cc2)n1N
InChIInChI=1S/C14H20N4OS/c1-3-5-13-16-17-14(18(13)15)20-10-11-6-8-12(9-7-11)19-4-2/h6-9H,3-5,10,15H2,1-2H3
InChIKeyYPNIGQMFWCWXPG-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.64
Rot. Bonds7

About 3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine

3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine (PubChem CID 660077) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
PubChem CID660077
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
SMILESCCCc1nnc(SCc2ccc(OCC)cc2)n1N
InChIInChI=1S/C14H20N4OS/c1-3-5-13-16-17-14(18(13)15)20-10-11-6-8-12(9-7-11)19-4-2/h6-9H,3-5,10,15H2,1-2H3
InChIKeyYPNIGQMFWCWXPG-UHFFFAOYSA-N
XLogP2.64
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-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-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine (CID 660077) is 3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine is CCCc1nnc(SCc2ccc(OCC)cc2)n1N.
What is the InChIKey of 3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The InChIKey is YPNIGQMFWCWXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-5-13-16-17-14(18(13)15)20-10-11-6-8-12(9-7-11)19-4-2/h6-9H,3-5,10,15H2,1-2H3.
What are the key properties of 3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 660077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).