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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Related Compounds

3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449404
3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449275
3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine
CID 102987204
N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine
CID 97329487
N-[3-[(S)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine
CID 97329488
3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine
CID 133378353
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine
CID 84594921
N-[2-(triazol-1-yl)ethyl]-2,1-benzothiazol-3-amine
CID 113375085
3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133449504
2-N-ethyl-3-morpholin-4-ylquinoline-2,4-diamine
CID 14986017
N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5309921
2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide
CID 133454024

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).