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

C9H6N4O — CID 718266

IUPAC5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2cnnc12
InChIInChI=1S/C9H6N4O/c14-9-8-12-10-5-13(8)7-4-2-1-3-6(7)11-9/h1-5H,(H,11,14)
InChIKeyNPVOJIUIIYMCKF-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.57
Rot. Bonds

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

5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 718266) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID718266
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2cnnc12
InChIInChI=1S/C9H6N4O/c14-9-8-12-10-5-13(8)7-4-2-1-3-6(7)11-9/h1-5H,(H,11,14)
InChIKeyNPVOJIUIIYMCKF-UHFFFAOYSA-N
XLogP0.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 718266) is 5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2ccccc2n2cnnc12.
What is the InChIKey of 5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is NPVOJIUIIYMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c14-9-8-12-10-5-13(8)7-4-2-1-3-6(7)11-9/h1-5H,(H,11,14).
What are the key properties of 5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 186.17 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 718266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).