6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline

C23H19N5 — CID 155540999

IUPAC6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline
SMILESCC(C)c1ccc(-c2ccc3nnc(-c4ccc5nccnc5c4)n3c2)cc1
InChIInChI=1S/C23H19N5/c1-15(2)16-3-5-17(6-4-16)19-8-10-22-26-27-23(28(22)14-19)18-7-9-20-21(13-18)25-12-11-24-20/h3-15H,1-2H3
InChIKeyFCEOOJDEQAHMSJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.13
Rot. Bonds3

About 6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline

6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline (PubChem CID 155540999) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline
PubChem CID155540999
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline
SMILESCC(C)c1ccc(-c2ccc3nnc(-c4ccc5nccnc5c4)n3c2)cc1
InChIInChI=1S/C23H19N5/c1-15(2)16-3-5-17(6-4-16)19-8-10-22-26-27-23(28(22)14-19)18-7-9-20-21(13-18)25-12-11-24-20/h3-15H,1-2H3
InChIKeyFCEOOJDEQAHMSJ-UHFFFAOYSA-N
XLogP5.13
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline?
The IUPAC name of 6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline (CID 155540999) is 6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline.
What is the SMILES notation for 6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline?
The canonical SMILES for 6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline is CC(C)c1ccc(-c2ccc3nnc(-c4ccc5nccnc5c4)n3c2)cc1.
What is the InChIKey of 6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline?
The InChIKey is FCEOOJDEQAHMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-15(2)16-3-5-17(6-4-16)19-8-10-22-26-27-23(28(22)14-19)18-7-9-20-21(13-18)25-12-11-24-20/h3-15H,1-2H3.
What are the key properties of 6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline?
6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline has a molecular weight of 365.44 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoxaline is sourced from PubChem (CID 155540999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).