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

C11H13N5O — CID 66864453

IUPAC2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile
SMILESCCC(CC)n1c(=O)[nH]c2ncc(C#N)nc21
InChIInChI=1S/C11H13N5O/c1-3-8(4-2)16-10-9(15-11(16)17)13-6-7(5-12)14-10/h6,8H,3-4H2,1-2H3,(H,13,15,17)
InChIKeyBWMYZRWUZRHUKK-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.35
Rot. Bonds3

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

2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile (PubChem CID 66864453) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile
PubChem CID66864453
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile
SMILESCCC(CC)n1c(=O)[nH]c2ncc(C#N)nc21
InChIInChI=1S/C11H13N5O/c1-3-8(4-2)16-10-9(15-11(16)17)13-6-7(5-12)14-10/h6,8H,3-4H2,1-2H3,(H,13,15,17)
InChIKeyBWMYZRWUZRHUKK-UHFFFAOYSA-N
XLogP1.35
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile 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 2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile?
The IUPAC name of 2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile (CID 66864453) is 2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile.
What is the SMILES notation for 2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile?
The canonical SMILES for 2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile is CCC(CC)n1c(=O)[nH]c2ncc(C#N)nc21.
What is the InChIKey of 2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile?
The InChIKey is BWMYZRWUZRHUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-3-8(4-2)16-10-9(15-11(16)17)13-6-7(5-12)14-10/h6,8H,3-4H2,1-2H3,(H,13,15,17).
What are the key properties of 2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile?
2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile has a molecular weight of 231.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazine-5-carbonitrile is sourced from PubChem (CID 66864453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).