2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine

C8H10N4S — CID 82281804

IUPAC2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine
SMILESNCCn1cnc(-c2cccs2)n1
InChIInChI=1S/C8H10N4S/c9-3-4-12-6-10-8(11-12)7-2-1-5-13-7/h1-2,5-6H,3-4,9H2
InChIKeyGEJTZWLCEAUPCW-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.97
Rot. Bonds3

About 2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine

2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine (PubChem CID 82281804) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine
PubChem CID82281804
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine
SMILESNCCn1cnc(-c2cccs2)n1
InChIInChI=1S/C8H10N4S/c9-3-4-12-6-10-8(11-12)7-2-1-5-13-7/h1-2,5-6H,3-4,9H2
InChIKeyGEJTZWLCEAUPCW-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine
CID 82470463
3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 65285410
(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
CID 82476476
4-[1-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]aniline
CID 113384251
1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672891
[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 62734137
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 142691977
3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733008
2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 98018921
2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
CID 39101600
4-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539212

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of 2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine (CID 82281804) is 2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for 2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine is NCCn1cnc(-c2cccs2)n1.
What is the InChIKey of 2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine?
The InChIKey is GEJTZWLCEAUPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c9-3-4-12-6-10-8(11-12)7-2-1-5-13-7/h1-2,5-6H,3-4,9H2.
What are the key properties of 2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine?
2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine has a molecular weight of 194.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 82281804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).