5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C14H9FN6O2 — CID 15729956

IUPAC5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(Oc2cccc(F)c2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C14H9FN6O2/c15-8-3-1-4-9(7-8)23-14-18-12(16)21-13(19-14)17-11(20-21)10-5-2-6-22-10/h1-7H,(H2,16,17,18,19,20)
InChIKeyFFDSBPWPIWFBPE-UHFFFAOYSA-N
MW312.26 g/mol
LogP2.29
Rot. Bonds3

About 5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 15729956) has the molecular formula C14H9FN6O2 and a molecular weight of 312.26 g/mol. Its IUPAC name is 5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID15729956
Molecular FormulaC14H9FN6O2
Molecular Weight312.26 g/mol
Exact Mass312.08
IUPAC Name5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(Oc2cccc(F)c2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C14H9FN6O2/c15-8-3-1-4-9(7-8)23-14-18-12(16)21-13(19-14)17-11(20-21)10-5-2-6-22-10/h1-7H,(H2,16,17,18,19,20)
InChIKeyFFDSBPWPIWFBPE-UHFFFAOYSA-N
XLogP2.29
TPSA104.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 15729956) is 5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(Oc2cccc(F)c2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is FFDSBPWPIWFBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN6O2/c15-8-3-1-4-9(7-8)23-14-18-12(16)21-13(19-14)17-11(20-21)10-5-2-6-22-10/h1-7H,(H2,16,17,18,19,20).
What are the key properties of 5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 312.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 15729956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).