2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid

C11H14N4O3 — CID 66864020

IUPAC2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid
SMILESCCC(CC)n1c(=O)[nH]c2nc(C(=O)O)cnc21
InChIInChI=1S/C11H14N4O3/c1-3-6(4-2)15-9-8(14-11(15)18)13-7(5-12-9)10(16)17/h5-6H,3-4H2,1-2H3,(H,16,17)(H,13,14,18)
InChIKeyOEKBTLYYLIHXOZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.18
Rot. Bonds4

About 2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid

2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid (PubChem CID 66864020) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid
PubChem CID66864020
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid
SMILESCCC(CC)n1c(=O)[nH]c2nc(C(=O)O)cnc21
InChIInChI=1S/C11H14N4O3/c1-3-6(4-2)15-9-8(14-11(15)18)13-7(5-12-9)10(16)17/h5-6H,3-4H2,1-2H3,(H,16,17)(H,13,14,18)
InChIKeyOEKBTLYYLIHXOZ-UHFFFAOYSA-N
XLogP1.18
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid?
The IUPAC name of 2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid (CID 66864020) is 2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid.
What is the SMILES notation for 2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid?
The canonical SMILES for 2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid is CCC(CC)n1c(=O)[nH]c2nc(C(=O)O)cnc21.
What is the InChIKey of 2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid?
The InChIKey is OEKBTLYYLIHXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-6(4-2)15-9-8(14-11(15)18)13-7(5-12-9)10(16)17/h5-6H,3-4H2,1-2H3,(H,16,17)(H,13,14,18).
What are the key properties of 2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid?
2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyrazine-5-carboxylic acid is sourced from PubChem (CID 66864020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).