4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine

C20H26N6O — CID 155495988

IUPAC4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine
SMILESCCCCCc1nc(C2CN(C)CCO2)n(-c2cnc3ccccc3n2)n1
InChIInChI=1S/C20H26N6O/c1-3-4-5-10-18-23-20(17-14-25(2)11-12-27-17)26(24-18)19-13-21-15-8-6-7-9-16(15)22-19/h6-9,13,17H,3-5,10-12,14H2,1-2H3
InChIKeyNGOQYQPEIFSJGY-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.95
Rot. Bonds6

About 4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine

4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine (PubChem CID 155495988) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine
PubChem CID155495988
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine
SMILESCCCCCc1nc(C2CN(C)CCO2)n(-c2cnc3ccccc3n2)n1
InChIInChI=1S/C20H26N6O/c1-3-4-5-10-18-23-20(17-14-25(2)11-12-27-17)26(24-18)19-13-21-15-8-6-7-9-16(15)22-19/h6-9,13,17H,3-5,10-12,14H2,1-2H3
InChIKeyNGOQYQPEIFSJGY-UHFFFAOYSA-N
XLogP2.95
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine (CID 155495988) is 4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine is CCCCCc1nc(C2CN(C)CCO2)n(-c2cnc3ccccc3n2)n1.
What is the InChIKey of 4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is NGOQYQPEIFSJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-4-5-10-18-23-20(17-14-25(2)11-12-27-17)26(24-18)19-13-21-15-8-6-7-9-16(15)22-19/h6-9,13,17H,3-5,10-12,14H2,1-2H3.
What are the key properties of 4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine?
4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 366.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-pentyl-2-quinoxalin-2-yl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 155495988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).