1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one

C15H15N5O — CID 14783696

IUPAC1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one
SMILESCCc1nnc2c(N3CCCC3=O)nc3ccccc3n12
InChIInChI=1S/C15H15N5O/c1-2-12-17-18-15-14(19-9-5-8-13(19)21)16-10-6-3-4-7-11(10)20(12)15/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyOTNALWBFNWGTTE-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.97
Rot. Bonds2

About 1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one

1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one (PubChem CID 14783696) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one
PubChem CID14783696
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one
SMILESCCc1nnc2c(N3CCCC3=O)nc3ccccc3n12
InChIInChI=1S/C15H15N5O/c1-2-12-17-18-15-14(19-9-5-8-13(19)21)16-10-6-3-4-7-11(10)20(12)15/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyOTNALWBFNWGTTE-UHFFFAOYSA-N
XLogP1.97
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one (CID 14783696) is 1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one is CCc1nnc2c(N3CCCC3=O)nc3ccccc3n12.
What is the InChIKey of 1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one?
The InChIKey is OTNALWBFNWGTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-12-17-18-15-14(19-9-5-8-13(19)21)16-10-6-3-4-7-11(10)20(12)15/h3-4,6-7H,2,5,8-9H2,1H3.
What are the key properties of 1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one?
1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one has a molecular weight of 281.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 14783696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).