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

C15H12F3N7O — CID 155585363

IUPACethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile
SMILESCC.N#Cc1cnc(Nc2nc(-c3ccc(C(F)(F)F)cn3)no2)cn1
InChIInChI=1S/C13H6F3N7O.C2H6/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;1-2/h1-2,4-6H,(H,20,21,22,23);1-2H3
InChIKeyDIIXTJKTGBKWCF-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.58
Rot. Bonds3

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

ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155585363) has the molecular formula C15H12F3N7O and a molecular weight of 363.30 g/mol. Its IUPAC name is ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Nameethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile
PubChem CID155585363
Molecular FormulaC15H12F3N7O
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Nameethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile
SMILESCC.N#Cc1cnc(Nc2nc(-c3ccc(C(F)(F)F)cn3)no2)cn1
InChIInChI=1S/C13H6F3N7O.C2H6/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;1-2/h1-2,4-6H,(H,20,21,22,23);1-2H3
InChIKeyDIIXTJKTGBKWCF-UHFFFAOYSA-N
XLogP3.58
TPSA113.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile (CID 155585363) is ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile is CC.N#Cc1cnc(Nc2nc(-c3ccc(C(F)(F)F)cn3)no2)cn1.
What is the InChIKey of ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is DIIXTJKTGBKWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N7O.C2H6/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;1-2/h1-2,4-6H,(H,20,21,22,23);1-2H3.
What are the key properties of ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile?
ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 363.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155585363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).