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

C16H11FN4O — CID 171987938

IUPAC1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1nc2ccccc2n2c(-c3ccc(F)cc3)nnc12
InChIInChI=1S/C16H11FN4O/c1-22-16-15-20-19-14(10-6-8-11(17)9-7-10)21(15)13-5-3-2-4-12(13)18-16/h2-9H,1H3
InChIKeyPNGZFWIHROAONO-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.09
Rot. Bonds2

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

1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 171987938) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID171987938
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1nc2ccccc2n2c(-c3ccc(F)cc3)nnc12
InChIInChI=1S/C16H11FN4O/c1-22-16-15-20-19-14(10-6-8-11(17)9-7-10)21(15)13-5-3-2-4-12(13)18-16/h2-9H,1H3
InChIKeyPNGZFWIHROAONO-UHFFFAOYSA-N
XLogP3.09
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.09
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-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline (CID 171987938) is 1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline is COc1nc2ccccc2n2c(-c3ccc(F)cc3)nnc12.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is PNGZFWIHROAONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c1-22-16-15-20-19-14(10-6-8-11(17)9-7-10)21(15)13-5-3-2-4-12(13)18-16/h2-9H,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 294.29 g/mol, XLogP of 3.09, 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-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 171987938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).