3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid

C10H11N3O2 — CID 84673046

IUPAC3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid
SMILESCC(Cc1nccn2ccnc12)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-7(10(14)15)6-8-9-12-3-5-13(9)4-2-11-8/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyINOCJYVWTQRUMR-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.99
Rot. Bonds3

About 3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid

3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid (PubChem CID 84673046) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid
PubChem CID84673046
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid
SMILESCC(Cc1nccn2ccnc12)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-7(10(14)15)6-8-9-12-3-5-13(9)4-2-11-8/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyINOCJYVWTQRUMR-UHFFFAOYSA-N
XLogP0.99
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid?
The IUPAC name of 3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid (CID 84673046) is 3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid.
What is the SMILES notation for 3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid?
The canonical SMILES for 3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid is CC(Cc1nccn2ccnc12)C(=O)O.
What is the InChIKey of 3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid?
The InChIKey is INOCJYVWTQRUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(10(14)15)6-8-9-12-3-5-13(9)4-2-11-8/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid?
3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid has a molecular weight of 205.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyrazin-8-yl-2-methylpropanoic acid is sourced from PubChem (CID 84673046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).