1-(2-thiophen-3-ylethyl)triazol-4-amine

C8H10N4S — CID 79542397

IUPAC1-(2-thiophen-3-ylethyl)triazol-4-amine
SMILESNc1cn(CCc2ccsc2)nn1
InChIInChI=1S/C8H10N4S/c9-8-5-12(11-10-8)3-1-7-2-4-13-6-7/h2,4-6H,1,3,9H2
InChIKeyFQTJZFUXRNZQQZ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.16
Rot. Bonds3

About 1-(2-thiophen-3-ylethyl)triazol-4-amine

1-(2-thiophen-3-ylethyl)triazol-4-amine (PubChem CID 79542397) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-(2-thiophen-3-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(2-thiophen-3-ylethyl)triazol-4-amine
PubChem CID79542397
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-(2-thiophen-3-ylethyl)triazol-4-amine
SMILESNc1cn(CCc2ccsc2)nn1
InChIInChI=1S/C8H10N4S/c9-8-5-12(11-10-8)3-1-7-2-4-13-6-7/h2,4-6H,1,3,9H2
InChIKeyFQTJZFUXRNZQQZ-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-thiophen-3-ylethyl)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 1-(2-thiophen-3-ylethyl)triazol-4-amine?
The IUPAC name of 1-(2-thiophen-3-ylethyl)triazol-4-amine (CID 79542397) is 1-(2-thiophen-3-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(2-thiophen-3-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(2-thiophen-3-ylethyl)triazol-4-amine is Nc1cn(CCc2ccsc2)nn1.
What is the InChIKey of 1-(2-thiophen-3-ylethyl)triazol-4-amine?
The InChIKey is FQTJZFUXRNZQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c9-8-5-12(11-10-8)3-1-7-2-4-13-6-7/h2,4-6H,1,3,9H2.
What are the key properties of 1-(2-thiophen-3-ylethyl)triazol-4-amine?
1-(2-thiophen-3-ylethyl)triazol-4-amine has a molecular weight of 194.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-3-ylethyl)triazol-4-amine is sourced from PubChem (CID 79542397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).