5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile

C13H10F3N5O — CID 133491410

IUPAC5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCOc2ccc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C13H10F3N5O/c14-13(15,16)9-1-2-12(21-6-9)22-4-3-18-11-8-19-10(5-17)7-20-11/h1-2,6-8H,3-4H2,(H,18,20)
InChIKeyNOIHSDZTQFYCMP-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.25
Rot. Bonds5

About 5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile

5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile (PubChem CID 133491410) has the molecular formula C13H10F3N5O and a molecular weight of 309.25 g/mol. Its IUPAC name is 5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile
PubChem CID133491410
Molecular FormulaC13H10F3N5O
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC Name5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCOc2ccc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C13H10F3N5O/c14-13(15,16)9-1-2-12(21-6-9)22-4-3-18-11-8-19-10(5-17)7-20-11/h1-2,6-8H,3-4H2,(H,18,20)
InChIKeyNOIHSDZTQFYCMP-UHFFFAOYSA-N
XLogP2.25
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile 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-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile (CID 133491410) is 5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCCOc2ccc(C(F)(F)F)cn2)cn1.
What is the InChIKey of 5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile?
The InChIKey is NOIHSDZTQFYCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O/c14-13(15,16)9-1-2-12(21-6-9)22-4-3-18-11-8-19-10(5-17)7-20-11/h1-2,6-8H,3-4H2,(H,18,20).
What are the key properties of 5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile?
5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile has a molecular weight of 309.25 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133491410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).