2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine

C14H14N4S — CID 62732647

IUPAC2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2n[nH]c(-c3cccs3)n2)cc1
InChIInChI=1S/C14H14N4S/c15-8-7-10-3-5-11(6-4-10)13-16-14(18-17-13)12-2-1-9-19-12/h1-6,9H,7-8,15H2,(H,16,17,18)
InChIKeyFRERVMZNENFGLL-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.70
Rot. Bonds4

About 2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine

2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine (PubChem CID 62732647) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
PubChem CID62732647
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2n[nH]c(-c3cccs3)n2)cc1
InChIInChI=1S/C14H14N4S/c15-8-7-10-3-5-11(6-4-10)13-16-14(18-17-13)12-2-1-9-19-12/h1-6,9H,7-8,15H2,(H,16,17,18)
InChIKeyFRERVMZNENFGLL-UHFFFAOYSA-N
XLogP2.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine (CID 62732647) is 2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine is NCCc1ccc(-c2n[nH]c(-c3cccs3)n2)cc1.
What is the InChIKey of 2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine?
The InChIKey is FRERVMZNENFGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-8-7-10-3-5-11(6-4-10)13-16-14(18-17-13)12-2-1-9-19-12/h1-6,9H,7-8,15H2,(H,16,17,18).
What are the key properties of 2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine?
2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 62732647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).