8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine

C15H9ClFN5 — CID 10267612

IUPAC8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine
SMILESNc1nc2ccc(Cl)cc2n2nc(-c3ccccc3F)nc12
InChIInChI=1S/C15H9ClFN5/c16-8-5-6-11-12(7-8)22-15(13(18)19-11)20-14(21-22)9-3-1-2-4-10(9)17/h1-7H,(H2,18,19)
InChIKeyCHXBZQXVJCMOFB-UHFFFAOYSA-N
MW313.72 g/mol
LogP3.32
Rot. Bonds1

About 8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine

8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine (PubChem CID 10267612) has the molecular formula C15H9ClFN5 and a molecular weight of 313.72 g/mol. Its IUPAC name is 8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine
PubChem CID10267612
Molecular FormulaC15H9ClFN5
Molecular Weight313.72 g/mol
Exact Mass313.05
IUPAC Name8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine
SMILESNc1nc2ccc(Cl)cc2n2nc(-c3ccccc3F)nc12
InChIInChI=1S/C15H9ClFN5/c16-8-5-6-11-12(7-8)22-15(13(18)19-11)20-14(21-22)9-3-1-2-4-10(9)17/h1-7H,(H2,18,19)
InChIKeyCHXBZQXVJCMOFB-UHFFFAOYSA-N
XLogP3.32
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-Chloro-1-phenyl-(1,2,4)triazolo(4,3-a)quinoxalin-4-amine
CID 124473
1-(2-Chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 56933838
N-(3-chloro-4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295764
[1,2,4]Triazolo[4,3-a]quinoxalin-4-amine, 8-chloro-N-(2-methylcyclohexyl)-
CID 20889067
1-Methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 399097
5-Methylbenzimidazolo[2,1-a]phthalazine
CID 650521
5-Chloro-3-phenyl[1,2,3]triazolo[1,5-a]quinazoline
CID 10707928
N-(4-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
CID 16193211
8-chloro-N-(2-phenylpropyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20889080
N-(4-chlorophenyl)-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431392
9-Chlorobenzimidazo[2,1-a]phthalazine
CID 2992478
N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295768

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine?
The IUPAC name of 8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine (CID 10267612) is 8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for 8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for 8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine is Nc1nc2ccc(Cl)cc2n2nc(-c3ccccc3F)nc12.
What is the InChIKey of 8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine?
The InChIKey is CHXBZQXVJCMOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN5/c16-8-5-6-11-12(7-8)22-15(13(18)19-11)20-14(21-22)9-3-1-2-4-10(9)17/h1-7H,(H2,18,19).
What are the key properties of 8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine?
8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine has a molecular weight of 313.72 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 10267612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).