4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline

C9H3Cl2FN4 — CID 58475451

IUPAC4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFc1cc2c(cc1Cl)nc(Cl)c1nncn12
InChIInChI=1S/C9H3Cl2FN4/c10-4-1-6-7(2-5(4)12)16-3-13-15-9(16)8(11)14-6/h1-3H
InChIKeyFCASLKGUTFOEHY-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.72
Rot. Bonds

About 4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline

4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 58475451) has the molecular formula C9H3Cl2FN4 and a molecular weight of 257.06 g/mol. Its IUPAC name is 4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID58475451
Molecular FormulaC9H3Cl2FN4
Molecular Weight257.06 g/mol
Exact Mass255.97
IUPAC Name4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFc1cc2c(cc1Cl)nc(Cl)c1nncn12
InChIInChI=1S/C9H3Cl2FN4/c10-4-1-6-7(2-5(4)12)16-3-13-15-9(16)8(11)14-6/h1-3H
InChIKeyFCASLKGUTFOEHY-UHFFFAOYSA-N
XLogP2.72
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline (CID 58475451) is 4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline is Fc1cc2c(cc1Cl)nc(Cl)c1nncn12.
What is the InChIKey of 4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is FCASLKGUTFOEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2FN4/c10-4-1-6-7(2-5(4)12)16-3-13-15-9(16)8(11)14-6/h1-3H.
What are the key properties of 4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline?
4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 257.06 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 58475451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).