5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile

C13H9F3N4 — CID 133484054

IUPAC5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(CC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)5-9-1-3-10(4-2-9)20-12-8-18-11(6-17)7-19-12/h1-4,7-8H,5H2,(H,19,20)
InChIKeyYSCUZPIMNGECEP-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.20
Rot. Bonds3

About 5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile

5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile (PubChem CID 133484054) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile
PubChem CID133484054
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(CC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)5-9-1-3-10(4-2-9)20-12-8-18-11(6-17)7-19-12/h1-4,7-8H,5H2,(H,19,20)
InChIKeyYSCUZPIMNGECEP-UHFFFAOYSA-N
XLogP3.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethylanilino)pyrazine-2-carbonitrile
CID 63658538
6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile
CID 133419252
5-(3-fluoro-5-methylanilino)pyrazine-2-carbonitrile
CID 79049483
5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile
CID 100621011
6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile
CID 133392722
5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile
CID 133484065
5-(1,1-difluoropropyl)pyrazine-2-carbonitrile
CID 135303474
5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile
CID 133484499
6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133391829
5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyrazine-2-carbonitrile
CID 107849281
5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile
CID 133484842
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile (CID 133484054) is 5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2ccc(CC(F)(F)F)cc2)cn1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile?
The InChIKey is YSCUZPIMNGECEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)5-9-1-3-10(4-2-9)20-12-8-18-11(6-17)7-19-12/h1-4,7-8H,5H2,(H,19,20).
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile?
5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile has a molecular weight of 278.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).