3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine

C16H19N7O — CID 133449306

IUPAC3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
SMILESc1ccc2nc(N3CCOCC3)c(NCCn3ccnn3)nc2c1
InChIInChI=1S/C16H19N7O/c1-2-4-14-13(3-1)19-15(17-5-7-23-8-6-18-21-23)16(20-14)22-9-11-24-12-10-22/h1-4,6,8H,5,7,9-12H2,(H,17,19)
InChIKeyJEISXUNQAAKMRP-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.17
Rot. Bonds5

About 3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine

3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine (PubChem CID 133449306) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
PubChem CID133449306
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
SMILESc1ccc2nc(N3CCOCC3)c(NCCn3ccnn3)nc2c1
InChIInChI=1S/C16H19N7O/c1-2-4-14-13(3-1)19-15(17-5-7-23-8-6-18-21-23)16(20-14)22-9-11-24-12-10-22/h1-4,6,8H,5,7,9-12H2,(H,17,19)
InChIKeyJEISXUNQAAKMRP-UHFFFAOYSA-N
XLogP1.17
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The IUPAC name of 3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine (CID 133449306) is 3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine is c1ccc2nc(N3CCOCC3)c(NCCn3ccnn3)nc2c1.
What is the InChIKey of 3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The InChIKey is JEISXUNQAAKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-2-4-14-13(3-1)19-15(17-5-7-23-8-6-18-21-23)16(20-14)22-9-11-24-12-10-22/h1-4,6,8H,5,7,9-12H2,(H,17,19).
What are the key properties of 3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine has a molecular weight of 325.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 133449306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).