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

C16H16N4 — CID 62876052

IUPAC5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline
SMILESc1cc(-c2n[nH]c(C3CCCC3)n2)c2cccnc2c1
InChIInChI=1S/C16H16N4/c1-2-6-11(5-1)15-18-16(20-19-15)13-7-3-9-14-12(13)8-4-10-17-14/h3-4,7-11H,1-2,5-6H2,(H,18,19,20)
InChIKeyJNNMKCLLJZOJNR-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.68
Rot. Bonds2

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

5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline (PubChem CID 62876052) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline.

Molecular Properties

Compound Name5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline
PubChem CID62876052
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline
SMILESc1cc(-c2n[nH]c(C3CCCC3)n2)c2cccnc2c1
InChIInChI=1S/C16H16N4/c1-2-6-11(5-1)15-18-16(20-19-15)13-7-3-9-14-12(13)8-4-10-17-14/h3-4,7-11H,1-2,5-6H2,(H,18,19,20)
InChIKeyJNNMKCLLJZOJNR-UHFFFAOYSA-N
XLogP3.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline?
The IUPAC name of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline (CID 62876052) is 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline.
What is the SMILES notation for 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline?
The canonical SMILES for 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline is c1cc(-c2n[nH]c(C3CCCC3)n2)c2cccnc2c1.
What is the InChIKey of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline?
The InChIKey is JNNMKCLLJZOJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-11(5-1)15-18-16(20-19-15)13-7-3-9-14-12(13)8-4-10-17-14/h3-4,7-11H,1-2,5-6H2,(H,18,19,20).
What are the key properties of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline?
5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline has a molecular weight of 264.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline is sourced from PubChem (CID 62876052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).