2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine

C10H14N4S — CID 116641787

IUPAC2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine
SMILESNCCc1cn(CCc2ccsc2)nn1
InChIInChI=1S/C10H14N4S/c11-4-1-10-7-14(13-12-10)5-2-9-3-6-15-8-9/h3,6-8H,1-2,4-5,11H2
InChIKeyBKHNELTZAUSHHP-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.08
Rot. Bonds5

About 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine

2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine (PubChem CID 116641787) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine
PubChem CID116641787
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine
SMILESNCCc1cn(CCc2ccsc2)nn1
InChIInChI=1S/C10H14N4S/c11-4-1-10-7-14(13-12-10)5-2-9-3-6-15-8-9/h3,6-8H,1-2,4-5,11H2
InChIKeyBKHNELTZAUSHHP-UHFFFAOYSA-N
XLogP1.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

4-[1-(2-thiophen-3-ylethyl)triazol-4-yl]butan-1-amine
CID 113424691
2-methyl-N-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66192264
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698
2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine
CID 79982358
2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine
CID 116642242
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
[1-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine
CID 106717906
2-[4-(4-aminobutyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 106209265
6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
CID 107706694
3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
CID 106220877

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine (CID 116641787) is 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine is NCCc1cn(CCc2ccsc2)nn1.
What is the InChIKey of 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine?
The InChIKey is BKHNELTZAUSHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c11-4-1-10-7-14(13-12-10)5-2-9-3-6-15-8-9/h3,6-8H,1-2,4-5,11H2.
What are the key properties of 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine?
2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine has a molecular weight of 222.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 116641787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).