methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate

C11H14N4O3 — CID 66449175

IUPACmethyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCN(C)C(=O)C2)n1
InChIInChI=1S/C11H14N4O3/c1-14-3-4-15(7-10(14)16)9-6-12-5-8(13-9)11(17)18-2/h5-6H,3-4,7H2,1-2H3
InChIKeyGTZJQHWKPLIICY-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.46
Rot. Bonds2

About methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate

methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate (PubChem CID 66449175) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
PubChem CID66449175
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Namemethyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCN(C)C(=O)C2)n1
InChIInChI=1S/C11H14N4O3/c1-14-3-4-15(7-10(14)16)9-6-12-5-8(13-9)11(17)18-2/h5-6H,3-4,7H2,1-2H3
InChIKeyGTZJQHWKPLIICY-UHFFFAOYSA-N
XLogP-0.46
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate (CID 66449175) is methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCN(C)C(=O)C2)n1.
What is the InChIKey of methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate?
The InChIKey is GTZJQHWKPLIICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-14-3-4-15(7-10(14)16)9-6-12-5-8(13-9)11(17)18-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate?
methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate has a molecular weight of 250.26 g/mol, XLogP of -0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66449175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).