3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

C14H19N5O — CID 71996070

IUPAC3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(CN2CCOCC2)C1
InChIInChI=1S/C14H19N5O/c15-9-13-14(17-3-2-16-13)19-4-1-12(11-19)10-18-5-7-20-8-6-18/h2-3,12H,1,4-8,10-11H2
InChIKeySSCOKOQMGAENSA-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.51
Rot. Bonds3

About 3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 71996070) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID71996070
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(CN2CCOCC2)C1
InChIInChI=1S/C14H19N5O/c15-9-13-14(17-3-2-16-13)19-4-1-12(11-19)10-18-5-7-20-8-6-18/h2-3,12H,1,4-8,10-11H2
InChIKeySSCOKOQMGAENSA-UHFFFAOYSA-N
XLogP0.51
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
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 3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 71996070) is 3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC(CN2CCOCC2)C1.
What is the InChIKey of 3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is SSCOKOQMGAENSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-9-13-14(17-3-2-16-13)19-4-1-12(11-19)10-18-5-7-20-8-6-18/h2-3,12H,1,4-8,10-11H2.
What are the key properties of 3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 71996070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).