4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine

C21H22N4O — CID 6415168

IUPAC4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine
SMILESCC1CN(c2nc(-c3ccccc3)nnc2-c2ccccc2)CC(C)O1
InChIInChI=1S/C21H22N4O/c1-15-13-25(14-16(2)26-15)21-19(17-9-5-3-6-10-17)23-24-20(22-21)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyKSVGSJSSLVILPM-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.82
Rot. Bonds3

About 4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine

4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine (PubChem CID 6415168) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine
PubChem CID6415168
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine
SMILESCC1CN(c2nc(-c3ccccc3)nnc2-c2ccccc2)CC(C)O1
InChIInChI=1S/C21H22N4O/c1-15-13-25(14-16(2)26-15)21-19(17-9-5-3-6-10-17)23-24-20(22-21)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyKSVGSJSSLVILPM-UHFFFAOYSA-N
XLogP3.82
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine (CID 6415168) is 4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine is CC1CN(c2nc(-c3ccccc3)nnc2-c2ccccc2)CC(C)O1.
What is the InChIKey of 4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine?
The InChIKey is KSVGSJSSLVILPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-13-25(14-16(2)26-15)21-19(17-9-5-3-6-10-17)23-24-20(22-21)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine?
4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine has a molecular weight of 346.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 6415168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).