6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile

C17H19N7O2S — CID 146075497

IUPAC6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc1
InChIInChI=1S/C17H19N7O2S/c18-11-13-1-2-14(19-12-13)27-17-21-15(23-3-7-25-8-4-23)20-16(22-17)24-5-9-26-10-6-24/h1-2,12H,3-10H2
InChIKeyIIDYABQWRIDBSC-UHFFFAOYSA-N
MW385.45 g/mol
LogP0.96
Rot. Bonds4

About 6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile

6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 146075497) has the molecular formula C17H19N7O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID146075497
Molecular FormulaC17H19N7O2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc1
InChIInChI=1S/C17H19N7O2S/c18-11-13-1-2-14(19-12-13)27-17-21-15(23-3-7-25-8-4-23)20-16(22-17)24-5-9-26-10-6-24/h1-2,12H,3-10H2
InChIKeyIIDYABQWRIDBSC-UHFFFAOYSA-N
XLogP0.96
TPSA100.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile (CID 146075497) is 6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile is N#Cc1ccc(Sc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc1.
What is the InChIKey of 6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is IIDYABQWRIDBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S/c18-11-13-1-2-14(19-12-13)27-17-21-15(23-3-7-25-8-4-23)20-16(22-17)24-5-9-26-10-6-24/h1-2,12H,3-10H2.
What are the key properties of 6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile?
6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 385.45 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 146075497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).