2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C21H15N5O2 — CID 22002346

IUPAC2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(Oc2ccc(-c3ccccc3)cc2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C21H15N5O2/c22-21-24-19(13-18-23-20(25-26(18)21)17-7-4-12-27-17)28-16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H,(H2,22,24)
InChIKeyJIPXLHULSBLFIJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.43
Rot. Bonds4

About 2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 22002346) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID22002346
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(Oc2ccc(-c3ccccc3)cc2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C21H15N5O2/c22-21-24-19(13-18-23-20(25-26(18)21)17-7-4-12-27-17)28-16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H,(H2,22,24)
InChIKeyJIPXLHULSBLFIJ-UHFFFAOYSA-N
XLogP4.43
TPSA91.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 22002346) is 2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(Oc2ccc(-c3ccccc3)cc2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is JIPXLHULSBLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c22-21-24-19(13-18-23-20(25-26(18)21)17-7-4-12-27-17)28-16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H,(H2,22,24).
What are the key properties of 2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 369.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 22002346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).