4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one

C17H15F3N4O — CID 87054576

IUPAC4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESCCn1c(=O)c(NCc2cccc(C(F)(F)F)c2)nc2ccncc21
InChIInChI=1S/C17H15F3N4O/c1-2-24-14-10-21-7-6-13(14)23-15(16(24)25)22-9-11-4-3-5-12(8-11)17(18,19)20/h3-8,10H,2,9H2,1H3,(H,22,23)
InChIKeyIPPXVJPAFSJMCQ-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.44
Rot. Bonds4

About 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one

4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one (PubChem CID 87054576) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
PubChem CID87054576
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESCCn1c(=O)c(NCc2cccc(C(F)(F)F)c2)nc2ccncc21
InChIInChI=1S/C17H15F3N4O/c1-2-24-14-10-21-7-6-13(14)23-15(16(24)25)22-9-11-4-3-5-12(8-11)17(18,19)20/h3-8,10H,2,9H2,1H3,(H,22,23)
InChIKeyIPPXVJPAFSJMCQ-UHFFFAOYSA-N
XLogP3.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one (CID 87054576) is 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one is CCn1c(=O)c(NCc2cccc(C(F)(F)F)c2)nc2ccncc21.
What is the InChIKey of 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is IPPXVJPAFSJMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-2-24-14-10-21-7-6-13(14)23-15(16(24)25)22-9-11-4-3-5-12(8-11)17(18,19)20/h3-8,10H,2,9H2,1H3,(H,22,23).
What are the key properties of 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 348.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 87054576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).