N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine

C13H22N6O — CID 624135

IUPACN-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N6O/c20-17-11-14-12(18-7-3-1-4-8-18)16-13(15-11)19-9-5-2-6-10-19/h20H,1-10H2,(H,14,15,16,17)
InChIKeyBZGDBEMRWJGECB-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.65
Rot. Bonds3

About N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine

N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 624135) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID624135
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC NameN-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N6O/c20-17-11-14-12(18-7-3-1-4-8-18)16-13(15-11)19-9-5-2-6-10-19/h20H,1-10H2,(H,14,15,16,17)
InChIKeyBZGDBEMRWJGECB-UHFFFAOYSA-N
XLogP1.65
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine (CID 624135) is N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine is ONc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is BZGDBEMRWJGECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c20-17-11-14-12(18-7-3-1-4-8-18)16-13(15-11)19-9-5-2-6-10-19/h20H,1-10H2,(H,14,15,16,17).
What are the key properties of N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine?
N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 278.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 624135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).