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

C10H14N4S — CID 105359685

IUPAC1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(CCc2cccs2)n1
InChIInChI=1S/C10H14N4S/c1-8(11)10-12-7-14(13-10)5-4-9-3-2-6-15-9/h2-3,6-8H,4-5,11H2,1H3
InChIKeyMKOVSVCHTQTRBW-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.60
Rot. Bonds4

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

1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105359685) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID105359685
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(CCc2cccs2)n1
InChIInChI=1S/C10H14N4S/c1-8(11)10-12-7-14(13-10)5-4-9-3-2-6-15-9/h2-3,6-8H,4-5,11H2,1H3
InChIKeyMKOVSVCHTQTRBW-UHFFFAOYSA-N
XLogP1.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-thiophen-2-ylethyl)pyrazol-3-amine
CID 63773628
1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine
CID 105359592
4-(1-bromoethyl)-1-(2-thiophen-2-ylethyl)triazole
CID 81449258
1-[1-(4-methoxybutyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359686
2-[2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]ethoxy]ethanol
CID 105359678
[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
CID 82470461
2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194003
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
CID 55235170
10-thiophen-2-yldecan-1-amine
CID 22115195
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
1-methyl-3-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 82077522

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine (CID 105359685) is 1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine is CC(N)c1ncn(CCc2cccs2)n1.
What is the InChIKey of 1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is MKOVSVCHTQTRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-8(11)10-12-7-14(13-10)5-4-9-3-2-6-15-9/h2-3,6-8H,4-5,11H2,1H3.
What are the key properties of 1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine?
1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 222.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105359685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).