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

C9H11ClN4O — CID 103054010

IUPAC4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cnc(Cl)cn2)CCN1
InChIInChI=1S/C9H11ClN4O/c10-8-4-12-7(3-13-8)5-14-2-1-11-9(15)6-14/h3-4H,1-2,5-6H2,(H,11,15)
InChIKeyCCAMUZCMPKZSIP-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.06
Rot. Bonds2

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

4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one (PubChem CID 103054010) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one
PubChem CID103054010
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cnc(Cl)cn2)CCN1
InChIInChI=1S/C9H11ClN4O/c10-8-4-12-7(3-13-8)5-14-2-1-11-9(15)6-14/h3-4H,1-2,5-6H2,(H,11,15)
InChIKeyCCAMUZCMPKZSIP-UHFFFAOYSA-N
XLogP0.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one (CID 103054010) is 4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one is O=C1CN(Cc2cnc(Cl)cn2)CCN1.
What is the InChIKey of 4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one?
The InChIKey is CCAMUZCMPKZSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c10-8-4-12-7(3-13-8)5-14-2-1-11-9(15)6-14/h3-4H,1-2,5-6H2,(H,11,15).
What are the key properties of 4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one?
4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one has a molecular weight of 226.67 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 103054010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).