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

C11H16N6O — CID 2217945

IUPAC2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCNc1nc(OCC#N)nc(N2CCCCC2)n1
InChIInChI=1S/C11H16N6O/c1-13-9-14-10(17-6-3-2-4-7-17)16-11(15-9)18-8-5-12/h2-4,6-8H2,1H3,(H,13,14,15,16)
InChIKeyUMBLGLFWMFIDPX-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.81
Rot. Bonds4

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

2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile (PubChem CID 2217945) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
PubChem CID2217945
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCNc1nc(OCC#N)nc(N2CCCCC2)n1
InChIInChI=1S/C11H16N6O/c1-13-9-14-10(17-6-3-2-4-7-17)16-11(15-9)18-8-5-12/h2-4,6-8H2,1H3,(H,13,14,15,16)
InChIKeyUMBLGLFWMFIDPX-UHFFFAOYSA-N
XLogP0.81
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The IUPAC name of 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile (CID 2217945) is 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile is CNc1nc(OCC#N)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The InChIKey is UMBLGLFWMFIDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-13-9-14-10(17-6-3-2-4-7-17)16-11(15-9)18-8-5-12/h2-4,6-8H2,1H3,(H,13,14,15,16).
What are the key properties of 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile has a molecular weight of 248.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile is sourced from PubChem (CID 2217945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).