2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine

C17H22N4O — CID 6415899

IUPAC2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine
SMILESCc1ccc(-c2nnc(C)c(N3CC(C)OC(C)C3)n2)cc1
InChIInChI=1S/C17H22N4O/c1-11-5-7-15(8-6-11)16-18-17(14(4)19-20-16)21-9-12(2)22-13(3)10-21/h5-8,12-13H,9-10H2,1-4H3
InChIKeyWNUWUYIZADTROQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.77
Rot. Bonds2

About 2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine

2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine (PubChem CID 6415899) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine
PubChem CID6415899
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine
SMILESCc1ccc(-c2nnc(C)c(N3CC(C)OC(C)C3)n2)cc1
InChIInChI=1S/C17H22N4O/c1-11-5-7-15(8-6-11)16-18-17(14(4)19-20-16)21-9-12(2)22-13(3)10-21/h5-8,12-13H,9-10H2,1-4H3
InChIKeyWNUWUYIZADTROQ-UHFFFAOYSA-N
XLogP2.77
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine (CID 6415899) is 2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine is Cc1ccc(-c2nnc(C)c(N3CC(C)OC(C)C3)n2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine?
The InChIKey is WNUWUYIZADTROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-5-7-15(8-6-11)16-18-17(14(4)19-20-16)21-9-12(2)22-13(3)10-21/h5-8,12-13H,9-10H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine?
2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine has a molecular weight of 298.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl]morpholine is sourced from PubChem (CID 6415899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).