3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine

C18H23N7O — CID 133449275

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
SMILESCC1CN(c2nc3ccccc3nc2NCCn2ccnn2)CC(C)O1
InChIInChI=1S/C18H23N7O/c1-13-11-24(12-14(2)26-13)18-17(19-7-9-25-10-8-20-23-25)21-15-5-3-4-6-16(15)22-18/h3-6,8,10,13-14H,7,9,11-12H2,1-2H3,(H,19,21)
InChIKeyYBBLJUBBNTYGQF-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.95
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine

3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine (PubChem CID 133449275) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
PubChem CID133449275
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
SMILESCC1CN(c2nc3ccccc3nc2NCCn2ccnn2)CC(C)O1
InChIInChI=1S/C18H23N7O/c1-13-11-24(12-14(2)26-13)18-17(19-7-9-25-10-8-20-23-25)21-15-5-3-4-6-16(15)22-18/h3-6,8,10,13-14H,7,9,11-12H2,1-2H3,(H,19,21)
InChIKeyYBBLJUBBNTYGQF-UHFFFAOYSA-N
XLogP1.95
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine (CID 133449275) is 3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine is CC1CN(c2nc3ccccc3nc2NCCn2ccnn2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The InChIKey is YBBLJUBBNTYGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-13-11-24(12-14(2)26-13)18-17(19-7-9-25-10-8-20-23-25)21-15-5-3-4-6-16(15)22-18/h3-6,8,10,13-14H,7,9,11-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine has a molecular weight of 353.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 133449275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).