4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile

C13H18N6O — CID 729563

IUPAC4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N6O/c14-10-11-15-12(18-4-2-1-3-5-18)17-13(16-11)19-6-8-20-9-7-19/h1-9H2
InChIKeyBEGBRSYHRSOITI-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.57
Rot. Bonds2

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

4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 729563) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
PubChem CID729563
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N6O/c14-10-11-15-12(18-4-2-1-3-5-18)17-13(16-11)19-6-8-20-9-7-19/h1-9H2
InChIKeyBEGBRSYHRSOITI-UHFFFAOYSA-N
XLogP0.57
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile (CID 729563) is 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is BEGBRSYHRSOITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c14-10-11-15-12(18-4-2-1-3-5-18)17-13(16-11)19-6-8-20-9-7-19/h1-9H2.
What are the key properties of 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 729563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).