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

C15H15N5 — CID 104615347

IUPAC5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline
SMILESc1cc(-c2n[nH]c(C3CCCC3)n2)c2nccnc2c1
InChIInChI=1S/C15H15N5/c1-2-5-10(4-1)14-18-15(20-19-14)11-6-3-7-12-13(11)17-9-8-16-12/h3,6-10H,1-2,4-5H2,(H,18,19,20)
InChIKeyZEUQZLCAJLOMSU-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.07
Rot. Bonds2

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

5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline (PubChem CID 104615347) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline.

Molecular Properties

Compound Name5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline
PubChem CID104615347
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline
SMILESc1cc(-c2n[nH]c(C3CCCC3)n2)c2nccnc2c1
InChIInChI=1S/C15H15N5/c1-2-5-10(4-1)14-18-15(20-19-14)11-6-3-7-12-13(11)17-9-8-16-12/h3,6-10H,1-2,4-5H2,(H,18,19,20)
InChIKeyZEUQZLCAJLOMSU-UHFFFAOYSA-N
XLogP3.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline?
The IUPAC name of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline (CID 104615347) is 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline.
What is the SMILES notation for 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline?
The canonical SMILES for 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline is c1cc(-c2n[nH]c(C3CCCC3)n2)c2nccnc2c1.
What is the InChIKey of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline?
The InChIKey is ZEUQZLCAJLOMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-5-10(4-1)14-18-15(20-19-14)11-6-3-7-12-13(11)17-9-8-16-12/h3,6-10H,1-2,4-5H2,(H,18,19,20).
What are the key properties of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline?
5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline has a molecular weight of 265.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoxaline is sourced from PubChem (CID 104615347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).