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

C10H6Cl2N4O — CID 10355707

IUPAC7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1nnc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C10H6Cl2N4O/c1-4-14-15-9-10(17)13-7-2-5(11)6(12)3-8(7)16(4)9/h2-3H,1H3,(H,13,17)
InChIKeyZOGRFURBKPHFIM-UHFFFAOYSA-N
MW269.09 g/mol
LogP2.19
Rot. Bonds

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

7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 10355707) has the molecular formula C10H6Cl2N4O and a molecular weight of 269.09 g/mol. Its IUPAC name is 7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID10355707
Molecular FormulaC10H6Cl2N4O
Molecular Weight269.09 g/mol
Exact Mass267.99
IUPAC Name7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1nnc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C10H6Cl2N4O/c1-4-14-15-9-10(17)13-7-2-5(11)6(12)3-8(7)16(4)9/h2-3H,1H3,(H,13,17)
InChIKeyZOGRFURBKPHFIM-UHFFFAOYSA-N
XLogP2.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 52.19
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
7,9-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10566031
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
9-amino-7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 25022525
7,8-dichloroimidazo[1,2-a]quinoxalin-4(5H)-one
CID 10037930
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

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 10355707) is 7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is Cc1nnc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n12.
What is the InChIKey of 7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is ZOGRFURBKPHFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O/c1-4-14-15-9-10(17)13-7-2-5(11)6(12)3-8(7)16(4)9/h2-3H,1H3,(H,13,17).
What are the key properties of 7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 269.09 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 10355707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).