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

C13H15N5O2 — CID 110170669

IUPAC2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCOCCc1nc(N)n2nc(-c3ccco3)cc2n1
InChIInChI=1S/C13H15N5O2/c1-2-19-7-5-11-15-12-8-9(10-4-3-6-20-10)17-18(12)13(14)16-11/h3-4,6,8H,2,5,7H2,1H3,(H2,14,15,16)
InChIKeyRJPXECDUPDKXLY-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.55
Rot. Bonds5

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

2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 110170669) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID110170669
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCOCCc1nc(N)n2nc(-c3ccco3)cc2n1
InChIInChI=1S/C13H15N5O2/c1-2-19-7-5-11-15-12-8-9(10-4-3-6-20-10)17-18(12)13(14)16-11/h3-4,6,8H,2,5,7H2,1H3,(H2,14,15,16)
InChIKeyRJPXECDUPDKXLY-UHFFFAOYSA-N
XLogP1.55
TPSA91.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 110170669) is 2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CCOCCc1nc(N)n2nc(-c3ccco3)cc2n1.
What is the InChIKey of 2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is RJPXECDUPDKXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-19-7-5-11-15-12-8-9(10-4-3-6-20-10)17-18(12)13(14)16-11/h3-4,6,8H,2,5,7H2,1H3,(H2,14,15,16).
What are the key properties of 2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 273.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 110170669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).