4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile

C12H16N6O2 — CID 755373

IUPAC4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H16N6O2/c13-9-10-14-11(17-1-5-19-6-2-17)16-12(15-10)18-3-7-20-8-4-18/h1-8H2
InChIKeyCKVMWRXMHJHOBH-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.58
Rot. Bonds2

About 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile

4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 755373) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile
PubChem CID755373
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H16N6O2/c13-9-10-14-11(17-1-5-19-6-2-17)16-12(15-10)18-3-7-20-8-4-18/h1-8H2
InChIKeyCKVMWRXMHJHOBH-UHFFFAOYSA-N
XLogP-0.58
TPSA87.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile (CID 755373) is 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is CKVMWRXMHJHOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c13-9-10-14-11(17-1-5-19-6-2-17)16-12(15-10)18-3-7-20-8-4-18/h1-8H2.
What are the key properties of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile?
4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of -0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 755373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).