5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile

C9H8F2N4 — CID 174276654

IUPAC5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NC2CC(F)(F)C2)cn1
InChIInChI=1S/C9H8F2N4/c10-9(11)1-6(2-9)15-8-5-13-7(3-12)4-14-8/h4-6H,1-2H2,(H,14,15)
InChIKeyDEASCJVHIKEMJK-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.56
Rot. Bonds2

About 5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile

5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile (PubChem CID 174276654) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile
PubChem CID174276654
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NC2CC(F)(F)C2)cn1
InChIInChI=1S/C9H8F2N4/c10-9(11)1-6(2-9)15-8-5-13-7(3-12)4-14-8/h4-6H,1-2H2,(H,14,15)
InChIKeyDEASCJVHIKEMJK-UHFFFAOYSA-N
XLogP1.56
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
3-(Methylamino)pyrazine-2-carbonitrile
CID 821140
3-(Diethylamino)pyrazine-2,5-dicarbonitrile
CID 57391054
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
3-(Hexylamino)pyrazine-2,5-dicarbonitrile
CID 57334415
3-(Heptylamino)pyrazine-2,5-dicarbonitrile
CID 57334416
3-(Cyclopentylamino)pyrazine-2,5-dicarbonitrile
CID 57394465
3-(Pentylamino)pyrazine-2,5-dicarbonitrile
CID 57394665
3-(Cyclohexylamino)pyrazine-2,5-dicarbonitrile
CID 57396225
3-(Propylamino)pyrazine-2,5-dicarbonitrile
CID 57396422
3-(Cycloheptylamino)pyrazine-2,5-dicarbonitrile
CID 57398019
3-(Ethylamino)pyrazine-2,5-dicarbonitrile
CID 57398215

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile (CID 174276654) is 5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile is N#Cc1cnc(NC2CC(F)(F)C2)cn1.
What is the InChIKey of 5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile?
The InChIKey is DEASCJVHIKEMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c10-9(11)1-6(2-9)15-8-5-13-7(3-12)4-14-8/h4-6H,1-2H2,(H,14,15).
What are the key properties of 5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile?
5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile has a molecular weight of 210.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclobutyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 174276654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).