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

C9H4Cl2N4O — CID 10244065

IUPAC7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2n2cnnc12
InChIInChI=1S/C9H4Cl2N4O/c10-4-1-6-7(2-5(4)11)15-3-12-14-8(15)9(16)13-6/h1-3H,(H,13,16)
InChIKeyIESYTBDOVCIPKA-UHFFFAOYSA-N
MW255.06 g/mol
LogP1.88
Rot. Bonds

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

7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 10244065) has the molecular formula C9H4Cl2N4O and a molecular weight of 255.06 g/mol. Its IUPAC name is 7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID10244065
Molecular FormulaC9H4Cl2N4O
Molecular Weight255.06 g/mol
Exact Mass253.98
IUPAC Name7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2n2cnnc12
InChIInChI=1S/C9H4Cl2N4O/c10-4-1-6-7(2-5(4)11)15-3-12-14-8(15)9(16)13-6/h1-3H,(H,13,16)
InChIKeyIESYTBDOVCIPKA-UHFFFAOYSA-N
XLogP1.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 51.88
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
(1,2,4)triazolo(1,5-a)quinoxalin-4(5H)-one
CID 10103893
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10357363
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10758555
7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 25022523
[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
CID 718266
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
7,8-Dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10355707
1-ethyl-7,8-dichloro-1,2,4-triazolo[4,3-a]quinoxalin-4(5H)-one
CID 10356446
(7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)-acetonitrile
CID 10706436

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 10244065) is 7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2cc(Cl)c(Cl)cc2n2cnnc12.
What is the InChIKey of 7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is IESYTBDOVCIPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N4O/c10-4-1-6-7(2-5(4)11)15-3-12-14-8(15)9(16)13-6/h1-3H,(H,13,16).
What are the key properties of 7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 255.06 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 10244065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).