1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline

C20H18FN5 — CID 838791

IUPAC1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFc1ccc(-c2nnc3c(N4CCCCC4)nc4ccccc4n23)cc1
InChIInChI=1S/C20H18FN5/c21-15-10-8-14(9-11-15)18-23-24-20-19(25-12-4-1-5-13-25)22-16-6-2-3-7-17(16)26(18)20/h2-3,6-11H,1,4-5,12-13H2
InChIKeySUIVKMHYAMOJND-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.07
Rot. Bonds2

About 1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline

1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 838791) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID838791
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFc1ccc(-c2nnc3c(N4CCCCC4)nc4ccccc4n23)cc1
InChIInChI=1S/C20H18FN5/c21-15-10-8-14(9-11-15)18-23-24-20-19(25-12-4-1-5-13-25)22-16-6-2-3-7-17(16)26(18)20/h2-3,6-11H,1,4-5,12-13H2
InChIKeySUIVKMHYAMOJND-UHFFFAOYSA-N
XLogP4.07
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 838791) is 1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline is Fc1ccc(-c2nnc3c(N4CCCCC4)nc4ccccc4n23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is SUIVKMHYAMOJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c21-15-10-8-14(9-11-15)18-23-24-20-19(25-12-4-1-5-13-25)22-16-6-2-3-7-17(16)26(18)20/h2-3,6-11H,1,4-5,12-13H2.
What are the key properties of 1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 347.40 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 838791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).