4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine

C17H19N5O2 — CID 3417674

IUPAC4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
SMILESCC(Oc1ccccc1)c1ccnc2nc(N3CCOCC3)nn12
InChIInChI=1S/C17H19N5O2/c1-13(24-14-5-3-2-4-6-14)15-7-8-18-16-19-17(20-22(15)16)21-9-11-23-12-10-21/h2-8,13H,9-12H2,1H3
InChIKeyGJAAGHWHBIKINE-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.10
Rot. Bonds4

About 4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine

4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine (PubChem CID 3417674) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
PubChem CID3417674
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
SMILESCC(Oc1ccccc1)c1ccnc2nc(N3CCOCC3)nn12
InChIInChI=1S/C17H19N5O2/c1-13(24-14-5-3-2-4-6-14)15-7-8-18-16-19-17(20-22(15)16)21-9-11-23-12-10-21/h2-8,13H,9-12H2,1H3
InChIKeyGJAAGHWHBIKINE-UHFFFAOYSA-N
XLogP2.10
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine (CID 3417674) is 4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine is CC(Oc1ccccc1)c1ccnc2nc(N3CCOCC3)nn12.
What is the InChIKey of 4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The InChIKey is GJAAGHWHBIKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-13(24-14-5-3-2-4-6-14)15-7-8-18-16-19-17(20-22(15)16)21-9-11-23-12-10-21/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine has a molecular weight of 325.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 3417674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).