(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine

C17H20N6O — CID 95764324

IUPAC(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine
SMILESCc1nc(C)n(C[C@@H]2CN(c3cnc4ccccc4n3)CCO2)n1
InChIInChI=1S/C17H20N6O/c1-12-19-13(2)23(21-12)11-14-10-22(7-8-24-14)17-9-18-15-5-3-4-6-16(15)20-17/h3-6,9,14H,7-8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyHQPPMZWPYGFEFA-AWEZNQCLSA-N
MW324.39 g/mol
LogP1.74
Rot. Bonds3

About (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine

(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine (PubChem CID 95764324) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine
PubChem CID95764324
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine
SMILESCc1nc(C)n(C[C@@H]2CN(c3cnc4ccccc4n3)CCO2)n1
InChIInChI=1S/C17H20N6O/c1-12-19-13(2)23(21-12)11-14-10-22(7-8-24-14)17-9-18-15-5-3-4-6-16(15)20-17/h3-6,9,14H,7-8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyHQPPMZWPYGFEFA-AWEZNQCLSA-N
XLogP1.74
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine (CID 95764324) is (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine is Cc1nc(C)n(C[C@@H]2CN(c3cnc4ccccc4n3)CCO2)n1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine?
The InChIKey is HQPPMZWPYGFEFA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-19-13(2)23(21-12)11-14-10-22(7-8-24-14)17-9-18-15-5-3-4-6-16(15)20-17/h3-6,9,14H,7-8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine?
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine has a molecular weight of 324.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine is sourced from PubChem (CID 95764324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).