5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile

C13H6F3N7O — CID 155585213

IUPAC5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2nc(-c3ccc(C(F)(F)F)cn3)no2)cn1
InChIInChI=1S/C13H6F3N7O/c14-13(15,16)7-1-2-9(19-4-7)11-22-12(24-23-11)21-10-6-18-8(3-17)5-20-10/h1-2,4-6H,(H,20,21,22,23)
InChIKeyOJGFYYAVEXRZCJ-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.56
Rot. Bonds3

About 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile

5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155585213) has the molecular formula C13H6F3N7O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile
PubChem CID155585213
Molecular FormulaC13H6F3N7O
Molecular Weight333.23 g/mol
Exact Mass333.06
IUPAC Name5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2nc(-c3ccc(C(F)(F)F)cn3)no2)cn1
InChIInChI=1S/C13H6F3N7O/c14-13(15,16)7-1-2-9(19-4-7)11-22-12(24-23-11)21-10-6-18-8(3-17)5-20-10/h1-2,4-6H,(H,20,21,22,23)
InChIKeyOJGFYYAVEXRZCJ-UHFFFAOYSA-N
XLogP2.56
TPSA113.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile (CID 155585213) is 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2nc(-c3ccc(C(F)(F)F)cn3)no2)cn1.
What is the InChIKey of 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is OJGFYYAVEXRZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N7O/c14-13(15,16)7-1-2-9(19-4-7)11-22-12(24-23-11)21-10-6-18-8(3-17)5-20-10/h1-2,4-6H,(H,20,21,22,23).
What are the key properties of 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile?
5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 333.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155585213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).