8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline

C16H16N4 — CID 62876053

IUPAC8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline
SMILESc1cnc2c(-c3n[nH]c(C4CCCC4)n3)cccc2c1
InChIInChI=1S/C16H16N4/c1-2-6-12(5-1)15-18-16(20-19-15)13-9-3-7-11-8-4-10-17-14(11)13/h3-4,7-10,12H,1-2,5-6H2,(H,18,19,20)
InChIKeyNAODFHQEKFLPPP-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.68
Rot. Bonds2

About 8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline

8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline (PubChem CID 62876053) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline.

Molecular Properties

Compound Name8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline
PubChem CID62876053
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline
SMILESc1cnc2c(-c3n[nH]c(C4CCCC4)n3)cccc2c1
InChIInChI=1S/C16H16N4/c1-2-6-12(5-1)15-18-16(20-19-15)13-9-3-7-11-8-4-10-17-14(11)13/h3-4,7-10,12H,1-2,5-6H2,(H,18,19,20)
InChIKeyNAODFHQEKFLPPP-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 8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline?
The IUPAC name of 8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline (CID 62876053) is 8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline.
What is the SMILES notation for 8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline?
The canonical SMILES for 8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline is c1cnc2c(-c3n[nH]c(C4CCCC4)n3)cccc2c1.
What is the InChIKey of 8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline?
The InChIKey is NAODFHQEKFLPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-12(5-1)15-18-16(20-19-15)13-9-3-7-11-8-4-10-17-14(11)13/h3-4,7-10,12H,1-2,5-6H2,(H,18,19,20).
What are the key properties of 8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline?
8-(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 8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline is sourced from PubChem (CID 62876053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).