3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine

C15H14FN7O — CID 46846653

IUPAC3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc(F)cc3)nnc2n1
InChIInChI=1S/C15H14FN7O/c16-10-3-1-9(2-4-10)12-18-11-13(22-21-12)19-15(17)20-14(11)23-5-7-24-8-6-23/h1-4H,5-8H2,(H2,17,19,20,22)
InChIKeyNKBTYOOVFBIJRM-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.04
Rot. Bonds2

About 3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine

3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine (PubChem CID 46846653) has the molecular formula C15H14FN7O and a molecular weight of 327.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine
PubChem CID46846653
Molecular FormulaC15H14FN7O
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Name3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc(F)cc3)nnc2n1
InChIInChI=1S/C15H14FN7O/c16-10-3-1-9(2-4-10)12-18-11-13(22-21-12)19-15(17)20-14(11)23-5-7-24-8-6-23/h1-4H,5-8H2,(H2,17,19,20,22)
InChIKeyNKBTYOOVFBIJRM-UHFFFAOYSA-N
XLogP1.04
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine?
The IUPAC name of 3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine (CID 46846653) is 3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine?
The canonical SMILES for 3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine is Nc1nc(N2CCOCC2)c2nc(-c3ccc(F)cc3)nnc2n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine?
The InChIKey is NKBTYOOVFBIJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O/c16-10-3-1-9(2-4-10)12-18-11-13(22-21-12)19-15(17)20-14(11)23-5-7-24-8-6-23/h1-4H,5-8H2,(H2,17,19,20,22).
What are the key properties of 3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine?
3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine has a molecular weight of 327.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine is sourced from PubChem (CID 46846653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).