4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine

C23H27N7O3 — CID 3246783

IUPAC4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine
SMILESc1ccc(COc2ccc(Oc3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn2)cc1
InChIInChI=1S/C23H27N7O3/c1-3-7-18(8-4-1)17-32-19-9-10-20(28-27-19)33-23-25-21(29-11-5-2-6-12-29)24-22(26-23)30-13-15-31-16-14-30/h1,3-4,7-10H,2,5-6,11-17H2
InChIKeyGSTYOSKTMANUGO-UHFFFAOYSA-N
MW449.52 g/mol
LogP2.86
Rot. Bonds7

About 4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 3246783) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID3246783
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine
SMILESc1ccc(COc2ccc(Oc3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn2)cc1
InChIInChI=1S/C23H27N7O3/c1-3-7-18(8-4-1)17-32-19-9-10-20(28-27-19)33-23-25-21(29-11-5-2-6-12-29)24-22(26-23)30-13-15-31-16-14-30/h1,3-4,7-10H,2,5-6,11-17H2
InChIKeyGSTYOSKTMANUGO-UHFFFAOYSA-N
XLogP2.86
TPSA98.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine (CID 3246783) is 4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine is c1ccc(COc2ccc(Oc3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn2)cc1.
What is the InChIKey of 4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is GSTYOSKTMANUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-3-7-18(8-4-1)17-32-19-9-10-20(28-27-19)33-23-25-21(29-11-5-2-6-12-29)24-22(26-23)30-13-15-31-16-14-30/h1,3-4,7-10H,2,5-6,11-17H2.
What are the key properties of 4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 449.52 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-phenylmethoxypyridazin-3-yl)oxy-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 3246783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).