5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile

C10H10F2N4O — CID 174277737

IUPAC5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NC2CC(OC(F)F)C2)cn1
InChIInChI=1S/C10H10F2N4O/c11-10(12)17-8-1-6(2-8)16-9-5-14-7(3-13)4-15-9/h4-6,8,10H,1-2H2,(H,15,16)
InChIKeyZOMYGPZMTQIQAR-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.53
Rot. Bonds4

About 5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile

5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile (PubChem CID 174277737) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile
PubChem CID174277737
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NC2CC(OC(F)F)C2)cn1
InChIInChI=1S/C10H10F2N4O/c11-10(12)17-8-1-6(2-8)16-9-5-14-7(3-13)4-15-9/h4-6,8,10H,1-2H2,(H,15,16)
InChIKeyZOMYGPZMTQIQAR-UHFFFAOYSA-N
XLogP1.53
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile (CID 174277737) is 5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(NC2CC(OC(F)F)C2)cn1.
What is the InChIKey of 5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile?
The InChIKey is ZOMYGPZMTQIQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c11-10(12)17-8-1-6(2-8)16-9-5-14-7(3-13)4-15-9/h4-6,8,10H,1-2H2,(H,15,16).
What are the key properties of 5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile?
5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile has a molecular weight of 240.21 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 174277737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).