5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

C11H14N4O — CID 114382889

IUPAC5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(CCO)C2)cn1
InChIInChI=1S/C11H14N4O/c12-5-10-6-14-11(7-13-10)15-3-1-9(8-15)2-4-16/h6-7,9,16H,1-4,8H2
InChIKeyFNVANOBSWKZPGQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.56
Rot. Bonds3

About 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 114382889) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID114382889
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(CCO)C2)cn1
InChIInChI=1S/C11H14N4O/c12-5-10-6-14-11(7-13-10)15-3-1-9(8-15)2-4-16/h6-7,9,16H,1-4,8H2
InChIKeyFNVANOBSWKZPGQ-UHFFFAOYSA-N
XLogP0.56
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 114382889) is 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC(CCO)C2)cn1.
What is the InChIKey of 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is FNVANOBSWKZPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-5-10-6-14-11(7-13-10)15-3-1-9(8-15)2-4-16/h6-7,9,16H,1-4,8H2.
What are the key properties of 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 114382889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).