4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one

C9H11ClN4O — CID 130915006

IUPAC4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC(CNc2cnc(Cl)cn2)CN1
InChIInChI=1S/C9H11ClN4O/c10-7-4-13-8(5-11-7)12-2-6-1-9(15)14-3-6/h4-6H,1-3H2,(H,12,13)(H,14,15)
InChIKeyWSDAPLIOPUVNDX-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.68
Rot. Bonds3

About 4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one

4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 130915006) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one
PubChem CID130915006
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC(CNc2cnc(Cl)cn2)CN1
InChIInChI=1S/C9H11ClN4O/c10-7-4-13-8(5-11-7)12-2-6-1-9(15)14-3-6/h4-6H,1-3H2,(H,12,13)(H,14,15)
InChIKeyWSDAPLIOPUVNDX-UHFFFAOYSA-N
XLogP0.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one (CID 130915006) is 4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one is O=C1CC(CNc2cnc(Cl)cn2)CN1.
What is the InChIKey of 4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is WSDAPLIOPUVNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c10-7-4-13-8(5-11-7)12-2-6-1-9(15)14-3-6/h4-6H,1-3H2,(H,12,13)(H,14,15).
What are the key properties of 4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one?
4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 226.67 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chloropyrazin-2-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 130915006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).