2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C18H13N5O2 — CID 11232803

IUPAC2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(C#CCOc2ccccc2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C18H13N5O2/c19-16-18-21-17(15-9-5-11-25-15)22-23(18)12-13(20-16)6-4-10-24-14-7-2-1-3-8-14/h1-3,5,7-9,11-12H,10H2,(H2,19,20)
InChIKeyBDSUXOVMTRRHAO-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.40
Rot. Bonds3

About 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 11232803) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID11232803
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(C#CCOc2ccccc2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C18H13N5O2/c19-16-18-21-17(15-9-5-11-25-15)22-23(18)12-13(20-16)6-4-10-24-14-7-2-1-3-8-14/h1-3,5,7-9,11-12H,10H2,(H2,19,20)
InChIKeyBDSUXOVMTRRHAO-UHFFFAOYSA-N
XLogP2.40
TPSA91.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 11232803) is 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Nc1nc(C#CCOc2ccccc2)cn2nc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is BDSUXOVMTRRHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-16-18-21-17(15-9-5-11-25-15)22-23(18)12-13(20-16)6-4-10-24-14-7-2-1-3-8-14/h1-3,5,7-9,11-12H,10H2,(H2,19,20).
What are the key properties of 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 331.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-(3-phenoxyprop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11232803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).