6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid

C10H10N4O3 — CID 67116943

IUPAC6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)cnc1-n1cnc(C)c1
InChIInChI=1S/C10H10N4O3/c1-6-4-14(5-12-6)8-9(17-2)13-7(3-11-8)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyUIOSQZCRPUAOIJ-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.68
Rot. Bonds3

About 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid

6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid (PubChem CID 67116943) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid
PubChem CID67116943
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)cnc1-n1cnc(C)c1
InChIInChI=1S/C10H10N4O3/c1-6-4-14(5-12-6)8-9(17-2)13-7(3-11-8)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyUIOSQZCRPUAOIJ-UHFFFAOYSA-N
XLogP0.68
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid 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 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid (CID 67116943) is 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid is COc1nc(C(=O)O)cnc1-n1cnc(C)c1.
What is the InChIKey of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is UIOSQZCRPUAOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6-4-14(5-12-6)8-9(17-2)13-7(3-11-8)10(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid?
6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(4-methylimidazol-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 67116943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).