methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate

C12H10N4O3 — CID 95915705

IUPACmethyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate
SMILESCOC(=O)Cn1c(=O)c2nncn2c2ccccc21
InChIInChI=1S/C12H10N4O3/c1-19-10(17)6-15-8-4-2-3-5-9(8)16-7-13-14-11(16)12(15)18/h2-5,7H,6H2,1H3
InChIKeyFLTPHWMGUIDYOK-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.22
Rot. Bonds2

About methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate

methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate (PubChem CID 95915705) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate
PubChem CID95915705
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Namemethyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate
SMILESCOC(=O)Cn1c(=O)c2nncn2c2ccccc21
InChIInChI=1S/C12H10N4O3/c1-19-10(17)6-15-8-4-2-3-5-9(8)16-7-13-14-11(16)12(15)18/h2-5,7H,6H2,1H3
InChIKeyFLTPHWMGUIDYOK-UHFFFAOYSA-N
XLogP0.22
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate?
The IUPAC name of methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate (CID 95915705) is methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate.
What is the SMILES notation for methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate?
The canonical SMILES for methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate is COC(=O)Cn1c(=O)c2nncn2c2ccccc21.
What is the InChIKey of methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate?
The InChIKey is FLTPHWMGUIDYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-19-10(17)6-15-8-4-2-3-5-9(8)16-7-13-14-11(16)12(15)18/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate?
methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate has a molecular weight of 258.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate is sourced from PubChem (CID 95915705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).