1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

C16H11ClN4 — CID 56933838

IUPAC1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2ccccc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C16H11ClN4/c1-10-15-19-20-16(11-6-2-3-7-12(11)17)21(15)14-9-5-4-8-13(14)18-10/h2-9H,1H3
InChIKeyCTBSIWZADWNGPL-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.91
Rot. Bonds1

About 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 56933838) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID56933838
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2ccccc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C16H11ClN4/c1-10-15-19-20-16(11-6-2-3-7-12(11)17)21(15)14-9-5-4-8-13(14)18-10/h2-9H,1H3
InChIKeyCTBSIWZADWNGPL-UHFFFAOYSA-N
XLogP3.91
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 56933838) is 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nc2ccccc2n2c(-c3ccccc3Cl)nnc12.
What is the InChIKey of 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is CTBSIWZADWNGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c1-10-15-19-20-16(11-6-2-3-7-12(11)17)21(15)14-9-5-4-8-13(14)18-10/h2-9H,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 294.75 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 56933838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).