5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile

C14H19N5O — CID 133485794

IUPAC5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile
SMILESCC1CN(c2cnc(C#N)cn2)CC1N1CCOCC1
InChIInChI=1S/C14H19N5O/c1-11-9-19(14-8-16-12(6-15)7-17-14)10-13(11)18-2-4-20-5-3-18/h7-8,11,13H,2-5,9-10H2,1H3
InChIKeyVIOZIQMQRMMASQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.51
Rot. Bonds2

About 5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile

5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 133485794) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile
PubChem CID133485794
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile
SMILESCC1CN(c2cnc(C#N)cn2)CC1N1CCOCC1
InChIInChI=1S/C14H19N5O/c1-11-9-19(14-8-16-12(6-15)7-17-14)10-13(11)18-2-4-20-5-3-18/h7-8,11,13H,2-5,9-10H2,1H3
InChIKeyVIOZIQMQRMMASQ-UHFFFAOYSA-N
XLogP0.51
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile (CID 133485794) is 5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile is CC1CN(c2cnc(C#N)cn2)CC1N1CCOCC1.
What is the InChIKey of 5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is VIOZIQMQRMMASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-9-19(14-8-16-12(6-15)7-17-14)10-13(11)18-2-4-20-5-3-18/h7-8,11,13H,2-5,9-10H2,1H3.
What are the key properties of 5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile?
5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 133485794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).