5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine

C15H15FN6O — CID 46846851

IUPAC5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
SMILESCCNc1nc(OCC)c2nc(-c3ccc(F)cc3)nnc2n1
InChIInChI=1S/C15H15FN6O/c1-3-17-15-19-13-11(14(20-15)23-4-2)18-12(21-22-13)9-5-7-10(16)8-6-9/h5-8H,3-4H2,1-2H3,(H,17,19,20,22)
InChIKeyPWXRRBOUBOLVEV-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.45
Rot. Bonds5

About 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine

5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine (PubChem CID 46846851) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine.

Molecular Properties

Compound Name5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
PubChem CID46846851
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
SMILESCCNc1nc(OCC)c2nc(-c3ccc(F)cc3)nnc2n1
InChIInChI=1S/C15H15FN6O/c1-3-17-15-19-13-11(14(20-15)23-4-2)18-12(21-22-13)9-5-7-10(16)8-6-9/h5-8H,3-4H2,1-2H3,(H,17,19,20,22)
InChIKeyPWXRRBOUBOLVEV-UHFFFAOYSA-N
XLogP2.45
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-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 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine?
The IUPAC name of 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine (CID 46846851) is 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine.
What is the SMILES notation for 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine?
The canonical SMILES for 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine is CCNc1nc(OCC)c2nc(-c3ccc(F)cc3)nnc2n1.
What is the InChIKey of 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine?
The InChIKey is PWXRRBOUBOLVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c1-3-17-15-19-13-11(14(20-15)23-4-2)18-12(21-22-13)9-5-7-10(16)8-6-9/h5-8H,3-4H2,1-2H3,(H,17,19,20,22).
What are the key properties of 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine?
5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine has a molecular weight of 314.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine is sourced from PubChem (CID 46846851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).