2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid

C9H9N3O3 — CID 107511755

IUPAC2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid
SMILESCOCc1nc2cnccn2c1C(=O)O
InChIInChI=1S/C9H9N3O3/c1-15-5-6-8(9(13)14)12-3-2-10-4-7(12)11-6/h2-4H,5H2,1H3,(H,13,14)
InChIKeyVWRWDWDZSMFPPC-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.57
Rot. Bonds3

About 2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid

2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid (PubChem CID 107511755) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid
PubChem CID107511755
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid
SMILESCOCc1nc2cnccn2c1C(=O)O
InChIInChI=1S/C9H9N3O3/c1-15-5-6-8(9(13)14)12-3-2-10-4-7(12)11-6/h2-4H,5H2,1H3,(H,13,14)
InChIKeyVWRWDWDZSMFPPC-UHFFFAOYSA-N
XLogP0.57
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid (CID 107511755) is 2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid is COCc1nc2cnccn2c1C(=O)O.
What is the InChIKey of 2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid?
The InChIKey is VWRWDWDZSMFPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-15-5-6-8(9(13)14)12-3-2-10-4-7(12)11-6/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid?
2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)imidazo[1,2-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 107511755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).