3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

C17H23N7O2 — CID 652461

IUPAC3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESO=c1ccc(Oc2nc(N3CCCCC3)nc(N3CCCCC3)n2)n[nH]1
InChIInChI=1S/C17H23N7O2/c25-13-7-8-14(22-21-13)26-17-19-15(23-9-3-1-4-10-23)18-16(20-17)24-11-5-2-6-12-24/h7-8H,1-6,9-12H2,(H,21,25)
InChIKeyMKPGOJFHKABCQE-UHFFFAOYSA-N
MW357.42 g/mol
LogP1.73
Rot. Bonds4

About 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 652461) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID652461
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESO=c1ccc(Oc2nc(N3CCCCC3)nc(N3CCCCC3)n2)n[nH]1
InChIInChI=1S/C17H23N7O2/c25-13-7-8-14(22-21-13)26-17-19-15(23-9-3-1-4-10-23)18-16(20-17)24-11-5-2-6-12-24/h7-8H,1-6,9-12H2,(H,21,25)
InChIKeyMKPGOJFHKABCQE-UHFFFAOYSA-N
XLogP1.73
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 652461) is 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is O=c1ccc(Oc2nc(N3CCCCC3)nc(N3CCCCC3)n2)n[nH]1.
What is the InChIKey of 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is MKPGOJFHKABCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c25-13-7-8-14(22-21-13)26-17-19-15(23-9-3-1-4-10-23)18-16(20-17)24-11-5-2-6-12-24/h7-8H,1-6,9-12H2,(H,21,25).
What are the key properties of 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 357.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 652461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).