7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C11H8Cl2N4O — CID 10356446

IUPAC7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCCc1nnc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C11H8Cl2N4O/c1-2-9-15-16-10-11(18)14-7-3-5(12)6(13)4-8(7)17(9)10/h3-4H,2H2,1H3,(H,14,18)
InChIKeyWFYBMPUPRLPKIT-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.44
Rot. Bonds1

About 7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 10356446) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is 7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID10356446
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC Name7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCCc1nnc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C11H8Cl2N4O/c1-2-9-15-16-10-11(18)14-7-3-5(12)6(13)4-8(7)17(9)10/h3-4H,2H2,1H3,(H,14,18)
InChIKeyWFYBMPUPRLPKIT-UHFFFAOYSA-N
XLogP2.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-Dichloro-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 9948141
7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10244065
Ethyl 8-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 44461607
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10357363
7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10635371
Ethyl 7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10661355
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10758555
8-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405119
1-Butyl-7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10086759
7,9-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10264324
7,8-Dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10355707
8-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10825548

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 10356446) is 7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is CCc1nnc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n12.
What is the InChIKey of 7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is WFYBMPUPRLPKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c1-2-9-15-16-10-11(18)14-7-3-5(12)6(13)4-8(7)17(9)10/h3-4H,2H2,1H3,(H,14,18).
What are the key properties of 7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 283.12 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 10356446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).