4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one

C11H17N5O3 — CID 135459616

IUPAC4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one
SMILESO=c1nc(N2CCOCC2)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C11H17N5O3/c17-11-13-9(15-1-5-18-6-2-15)12-10(14-11)16-3-7-19-8-4-16/h1-8H2,(H,12,13,14,17)
InChIKeyITWXPXDYRAKSPM-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.16
Rot. Bonds2

About 4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one

4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one (PubChem CID 135459616) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one
PubChem CID135459616
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one
SMILESO=c1nc(N2CCOCC2)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C11H17N5O3/c17-11-13-9(15-1-5-18-6-2-15)12-10(14-11)16-3-7-19-8-4-16/h1-8H2,(H,12,13,14,17)
InChIKeyITWXPXDYRAKSPM-UHFFFAOYSA-N
XLogP-1.16
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one?
The IUPAC name of 4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one (CID 135459616) is 4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one is O=c1nc(N2CCOCC2)nc(N2CCOCC2)[nH]1.
What is the InChIKey of 4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one?
The InChIKey is ITWXPXDYRAKSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-11-13-9(15-1-5-18-6-2-15)12-10(14-11)16-3-7-19-8-4-16/h1-8H2,(H,12,13,14,17).
What are the key properties of 4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one?
4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one has a molecular weight of 267.29 g/mol, XLogP of -1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135459616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).