methyl 6-(dimethylamino)pyrazine-2-carboxylate

C8H11N3O2 — CID 23273695

IUPACmethyl 6-(dimethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)C)n1
InChIInChI=1S/C8H11N3O2/c1-11(2)7-5-9-4-6(10-7)8(12)13-3/h4-5H,1-3H3
InChIKeyJPWNMBBOFUKZCQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.33
Rot. Bonds2

About methyl 6-(dimethylamino)pyrazine-2-carboxylate

methyl 6-(dimethylamino)pyrazine-2-carboxylate (PubChem CID 23273695) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 6-(dimethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(dimethylamino)pyrazine-2-carboxylate
PubChem CID23273695
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 6-(dimethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)C)n1
InChIInChI=1S/C8H11N3O2/c1-11(2)7-5-9-4-6(10-7)8(12)13-3/h4-5H,1-3H3
InChIKeyJPWNMBBOFUKZCQ-UHFFFAOYSA-N
XLogP0.33
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(dimethylamino)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-(dimethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(dimethylamino)pyrazine-2-carboxylate (CID 23273695) is methyl 6-(dimethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(dimethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(dimethylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(N(C)C)n1.
What is the InChIKey of methyl 6-(dimethylamino)pyrazine-2-carboxylate?
The InChIKey is JPWNMBBOFUKZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(2)7-5-9-4-6(10-7)8(12)13-3/h4-5H,1-3H3.
What are the key properties of methyl 6-(dimethylamino)pyrazine-2-carboxylate?
methyl 6-(dimethylamino)pyrazine-2-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dimethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 23273695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).