3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one

C10H14N4O — CID 66864122

IUPAC3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCC(CC)n1c(=O)[nH]c2nccnc21
InChIInChI=1S/C10H14N4O/c1-3-7(4-2)14-9-8(13-10(14)15)11-5-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,13,15)
InChIKeyOQTVWLOQVMHOME-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.48
Rot. Bonds3

About 3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one

3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66864122) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66864122
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCC(CC)n1c(=O)[nH]c2nccnc21
InChIInChI=1S/C10H14N4O/c1-3-7(4-2)14-9-8(13-10(14)15)11-5-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,13,15)
InChIKeyOQTVWLOQVMHOME-UHFFFAOYSA-N
XLogP1.48
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 66864122) is 3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is CCC(CC)n1c(=O)[nH]c2nccnc21.
What is the InChIKey of 3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is OQTVWLOQVMHOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-7(4-2)14-9-8(13-10(14)15)11-5-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,13,15).
What are the key properties of 3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66864122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).