2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine

C12H20N4O — CID 139577067

IUPAC2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine
SMILESCOCCN1CCN(c2cnc(C)cn2)CC1
InChIInChI=1S/C12H20N4O/c1-11-9-14-12(10-13-11)16-5-3-15(4-6-16)7-8-17-2/h9-10H,3-8H2,1-2H3
InChIKeyVFLNPJTZCZIDEN-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds4

About 2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine

2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine (PubChem CID 139577067) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine
PubChem CID139577067
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine
SMILESCOCCN1CCN(c2cnc(C)cn2)CC1
InChIInChI=1S/C12H20N4O/c1-11-9-14-12(10-13-11)16-5-3-15(4-6-16)7-8-17-2/h9-10H,3-8H2,1-2H3
InChIKeyVFLNPJTZCZIDEN-UHFFFAOYSA-N
XLogP0.55
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine?
The IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine (CID 139577067) is 2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine.
What is the SMILES notation for 2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine?
The canonical SMILES for 2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine is COCCN1CCN(c2cnc(C)cn2)CC1.
What is the InChIKey of 2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine?
The InChIKey is VFLNPJTZCZIDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-11-9-14-12(10-13-11)16-5-3-15(4-6-16)7-8-17-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine?
2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine has a molecular weight of 236.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrazine is sourced from PubChem (CID 139577067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).