2-(1-thiophen-2-yltriazol-4-yl)ethanamine

C8H10N4S — CID 83637304

IUPAC2-(1-thiophen-2-yltriazol-4-yl)ethanamine
SMILESNCCc1cn(-c2cccs2)nn1
InChIInChI=1S/C8H10N4S/c9-4-3-7-6-12(11-10-7)8-2-1-5-13-8/h1-2,5-6H,3-4,9H2
InChIKeyWGIRLMVSEAYRIP-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.83
Rot. Bonds3

About 2-(1-thiophen-2-yltriazol-4-yl)ethanamine

2-(1-thiophen-2-yltriazol-4-yl)ethanamine (PubChem CID 83637304) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(1-thiophen-2-yltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-thiophen-2-yltriazol-4-yl)ethanamine
PubChem CID83637304
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-(1-thiophen-2-yltriazol-4-yl)ethanamine
SMILESNCCc1cn(-c2cccs2)nn1
InChIInChI=1S/C8H10N4S/c9-4-3-7-6-12(11-10-7)8-2-1-5-13-8/h1-2,5-6H,3-4,9H2
InChIKeyWGIRLMVSEAYRIP-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Trimethyl-(1-thiophen-2-yltriazol-4-yl)silane
CID 10082338
1-Thiophen-2-yltriazole
CID 12454080
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650
2-(1H-pyrazol-1-yl)thiophen-3-amine
CID 68781723
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 55072751
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine
CID 62421398
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 62421399
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421400
2-methyl-N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421401
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421565

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-yltriazol-4-yl)ethanamine?
The IUPAC name of 2-(1-thiophen-2-yltriazol-4-yl)ethanamine (CID 83637304) is 2-(1-thiophen-2-yltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-thiophen-2-yltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-thiophen-2-yltriazol-4-yl)ethanamine is NCCc1cn(-c2cccs2)nn1.
What is the InChIKey of 2-(1-thiophen-2-yltriazol-4-yl)ethanamine?
The InChIKey is WGIRLMVSEAYRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c9-4-3-7-6-12(11-10-7)8-2-1-5-13-8/h1-2,5-6H,3-4,9H2.
What are the key properties of 2-(1-thiophen-2-yltriazol-4-yl)ethanamine?
2-(1-thiophen-2-yltriazol-4-yl)ethanamine has a molecular weight of 194.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-yltriazol-4-yl)ethanamine is sourced from PubChem (CID 83637304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).