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

C21H19N5O2 — CID 1476936

IUPAC4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
SMILESc1ccc(Oc2ccc(-c3ccnc4nc(N5CCOCC5)nn34)cc2)cc1
InChIInChI=1S/C21H19N5O2/c1-2-4-17(5-3-1)28-18-8-6-16(7-9-18)19-10-11-22-20-23-21(24-26(19)20)25-12-14-27-15-13-25/h1-11H,12-15H2
InChIKeyOAKOAPOOVFSGBM-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.42
Rot. Bonds4

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

4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine (PubChem CID 1476936) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
PubChem CID1476936
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
SMILESc1ccc(Oc2ccc(-c3ccnc4nc(N5CCOCC5)nn34)cc2)cc1
InChIInChI=1S/C21H19N5O2/c1-2-4-17(5-3-1)28-18-8-6-16(7-9-18)19-10-11-22-20-23-21(24-26(19)20)25-12-14-27-15-13-25/h1-11H,12-15H2
InChIKeyOAKOAPOOVFSGBM-UHFFFAOYSA-N
XLogP3.42
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine (CID 1476936) is 4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine is c1ccc(Oc2ccc(-c3ccnc4nc(N5CCOCC5)nn34)cc2)cc1.
What is the InChIKey of 4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
The InChIKey is OAKOAPOOVFSGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-4-17(5-3-1)28-18-8-6-16(7-9-18)19-10-11-22-20-23-21(24-26(19)20)25-12-14-27-15-13-25/h1-11H,12-15H2.
What are the key properties of 4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine?
4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine has a molecular weight of 373.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 1476936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).