4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline

C15H9ClN4 — CID 899290

IUPAC4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1nc2ccccc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C15H9ClN4/c16-13-15-19-18-14(10-6-2-1-3-7-10)20(15)12-9-5-4-8-11(12)17-13/h1-9H
InChIKeyVHAHGJBWPVLYCF-UHFFFAOYSA-N
MW280.72 g/mol
LogP3.60
Rot. Bonds1

About 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline

4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 899290) has the molecular formula C15H9ClN4 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID899290
Molecular FormulaC15H9ClN4
Molecular Weight280.72 g/mol
Exact Mass280.05
IUPAC Name4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1nc2ccccc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C15H9ClN4/c16-13-15-19-18-14(10-6-2-1-3-7-10)20(15)12-9-5-4-8-11(12)17-13/h1-9H
InChIKeyVHAHGJBWPVLYCF-UHFFFAOYSA-N
XLogP3.60
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 899290) is 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline is Clc1nc2ccccc2n2c(-c3ccccc3)nnc12.
What is the InChIKey of 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is VHAHGJBWPVLYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4/c16-13-15-19-18-14(10-6-2-1-3-7-10)20(15)12-9-5-4-8-11(12)17-13/h1-9H.
What are the key properties of 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 280.72 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 899290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).