2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide

C16H24N8O — CID 719057

IUPAC2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESN#CN(CC(N)=O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H24N8O/c17-12-24(11-13(18)25)16-20-14(22-7-3-1-4-8-22)19-15(21-16)23-9-5-2-6-10-23/h1-11H2,(H2,18,25)
InChIKeyYJJNVVUXZPCTEK-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.62
Rot. Bonds5

About 2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide

2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 719057) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID719057
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESN#CN(CC(N)=O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H24N8O/c17-12-24(11-13(18)25)16-20-14(22-7-3-1-4-8-22)19-15(21-16)23-9-5-2-6-10-23/h1-11H2,(H2,18,25)
InChIKeyYJJNVVUXZPCTEK-UHFFFAOYSA-N
XLogP0.62
TPSA115.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (CID 719057) is 2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is N#CN(CC(N)=O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is YJJNVVUXZPCTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O/c17-12-24(11-13(18)25)16-20-14(22-7-3-1-4-8-22)19-15(21-16)23-9-5-2-6-10-23/h1-11H2,(H2,18,25).
What are the key properties of 2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 344.42 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyano-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 719057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).