3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine

C13H18N4S — CID 55247218

IUPAC3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2n[nH]c(C3CCCC3)n2)c(N)s1
InChIInChI=1S/C13H18N4S/c1-2-9-7-10(11(14)18-9)13-15-12(16-17-13)8-5-3-4-6-8/h7-8H,2-6,14H2,1H3,(H,15,16,17)
InChIKeyXLDMXNLEYJGAOQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.34
Rot. Bonds3

About 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine

3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine (PubChem CID 55247218) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine.

Molecular Properties

Compound Name3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine
PubChem CID55247218
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2n[nH]c(C3CCCC3)n2)c(N)s1
InChIInChI=1S/C13H18N4S/c1-2-9-7-10(11(14)18-9)13-15-12(16-17-13)8-5-3-4-6-8/h7-8H,2-6,14H2,1H3,(H,15,16,17)
InChIKeyXLDMXNLEYJGAOQ-UHFFFAOYSA-N
XLogP3.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine?
The IUPAC name of 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine (CID 55247218) is 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine.
What is the SMILES notation for 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine?
The canonical SMILES for 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine is CCc1cc(-c2n[nH]c(C3CCCC3)n2)c(N)s1.
What is the InChIKey of 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine?
The InChIKey is XLDMXNLEYJGAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-2-9-7-10(11(14)18-9)13-15-12(16-17-13)8-5-3-4-6-8/h7-8H,2-6,14H2,1H3,(H,15,16,17).
What are the key properties of 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine?
3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine is sourced from PubChem (CID 55247218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).