4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one

C10H13ClN4O — CID 103054316

IUPAC4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2cnc(Cl)cn2)CC1=O
InChIInChI=1S/C10H13ClN4O/c1-14-2-3-15(7-10(14)16)6-8-4-13-9(11)5-12-8/h4-5H,2-3,6-7H2,1H3
InChIKeyBGQSIGPCOQCPCJ-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.40
Rot. Bonds2

About 4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one

4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one (PubChem CID 103054316) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one
PubChem CID103054316
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2cnc(Cl)cn2)CC1=O
InChIInChI=1S/C10H13ClN4O/c1-14-2-3-15(7-10(14)16)6-8-4-13-9(11)5-12-8/h4-5H,2-3,6-7H2,1H3
InChIKeyBGQSIGPCOQCPCJ-UHFFFAOYSA-N
XLogP0.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one (CID 103054316) is 4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one is CN1CCN(Cc2cnc(Cl)cn2)CC1=O.
What is the InChIKey of 4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one?
The InChIKey is BGQSIGPCOQCPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-14-2-3-15(7-10(14)16)6-8-4-13-9(11)5-12-8/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one?
4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one has a molecular weight of 240.69 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloropyrazin-2-yl)methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 103054316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).