4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine

C13H13N5O — CID 878002

IUPAC4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine
SMILESc1ccc2c(c1)nc(N1CCOCC1)c1nncn12
InChIInChI=1S/C13H13N5O/c1-2-4-11-10(3-1)15-12(13-16-14-9-18(11)13)17-5-7-19-8-6-17/h1-4,9H,5-8H2
InChIKeyHBNQJIWDGZBZKA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.11
Rot. Bonds1

About 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine

4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine (PubChem CID 878002) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine
PubChem CID878002
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine
SMILESc1ccc2c(c1)nc(N1CCOCC1)c1nncn12
InChIInChI=1S/C13H13N5O/c1-2-4-11-10(3-1)15-12(13-16-14-9-18(11)13)17-5-7-19-8-6-17/h1-4,9H,5-8H2
InChIKeyHBNQJIWDGZBZKA-UHFFFAOYSA-N
XLogP1.11
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine?
The IUPAC name of 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine (CID 878002) is 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine is c1ccc2c(c1)nc(N1CCOCC1)c1nncn12.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine?
The InChIKey is HBNQJIWDGZBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-4-11-10(3-1)15-12(13-16-14-9-18(11)13)17-5-7-19-8-6-17/h1-4,9H,5-8H2.
What are the key properties of 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine?
4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine has a molecular weight of 255.28 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)morpholine is sourced from PubChem (CID 878002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).