5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile

C14H16N4 — CID 128564746

IUPAC5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CC(C3CC3)C2C2CC2)cn1
InChIInChI=1S/C14H16N4/c15-5-11-6-17-13(7-16-11)18-8-12(9-1-2-9)14(18)10-3-4-10/h6-7,9-10,12,14H,1-4,8H2
InChIKeyKNUSQEPESOMOJU-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.97
Rot. Bonds3

About 5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile

5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 128564746) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile
PubChem CID128564746
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CC(C3CC3)C2C2CC2)cn1
InChIInChI=1S/C14H16N4/c15-5-11-6-17-13(7-16-11)18-8-12(9-1-2-9)14(18)10-3-4-10/h6-7,9-10,12,14H,1-4,8H2
InChIKeyKNUSQEPESOMOJU-UHFFFAOYSA-N
XLogP1.97
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile (CID 128564746) is 5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile is N#Cc1cnc(N2CC(C3CC3)C2C2CC2)cn1.
What is the InChIKey of 5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is KNUSQEPESOMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-5-11-6-17-13(7-16-11)18-8-12(9-1-2-9)14(18)10-3-4-10/h6-7,9-10,12,14H,1-4,8H2.
What are the key properties of 5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile?
5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 128564746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).