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

C14H10N6O2 — CID 3071852

IUPAC2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C14H10N6O2/c15-12-17-14(22-9-5-2-1-3-6-9)18-13-16-11(19-20(12)13)10-7-4-8-21-10/h1-8H,(H2,15,16,17,18,19)
InChIKeyZQSNZROOZBSWNB-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.15
Rot. Bonds3

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

2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 3071852) has the molecular formula C14H10N6O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID3071852
Molecular FormulaC14H10N6O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C14H10N6O2/c15-12-17-14(22-9-5-2-1-3-6-9)18-13-16-11(19-20(12)13)10-7-4-8-21-10/h1-8H,(H2,15,16,17,18,19)
InChIKeyZQSNZROOZBSWNB-UHFFFAOYSA-N
XLogP2.15
TPSA104.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 3071852) is 2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is ZQSNZROOZBSWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2/c15-12-17-14(22-9-5-2-1-3-6-9)18-13-16-11(19-20(12)13)10-7-4-8-21-10/h1-8H,(H2,15,16,17,18,19).
What are the key properties of 2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 294.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 3071852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).