2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile

C13H18N6O3 — CID 644599

IUPAC2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESN#CCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N6O3/c14-1-6-22-13-16-11(18-2-7-20-8-3-18)15-12(17-13)19-4-9-21-10-5-19/h2-10H2
InChIKeyZDWKNJMIIQMADI-UHFFFAOYSA-N
MW306.33 g/mol
LogP-0.55
Rot. Bonds4

About 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile

2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (PubChem CID 644599) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
PubChem CID644599
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESN#CCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N6O3/c14-1-6-22-13-16-11(18-2-7-20-8-3-18)15-12(17-13)19-4-9-21-10-5-19/h2-10H2
InChIKeyZDWKNJMIIQMADI-UHFFFAOYSA-N
XLogP-0.55
TPSA96.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (CID 644599) is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is N#CCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The InChIKey is ZDWKNJMIIQMADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c14-1-6-22-13-16-11(18-2-7-20-8-3-18)15-12(17-13)19-4-9-21-10-5-19/h2-10H2.
What are the key properties of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile has a molecular weight of 306.33 g/mol, XLogP of -0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is sourced from PubChem (CID 644599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).