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

C13H18N4O — CID 66863982

IUPAC5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCC(CC)n1c(=O)[nH]c2ncc(C3CC3)nc21
InChIInChI=1S/C13H18N4O/c1-3-9(4-2)17-12-11(16-13(17)18)14-7-10(15-12)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,14,16,18)
InChIKeyBQHUECBTWVGPTM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.36
Rot. Bonds4

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

5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66863982) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66863982
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCC(CC)n1c(=O)[nH]c2ncc(C3CC3)nc21
InChIInChI=1S/C13H18N4O/c1-3-9(4-2)17-12-11(16-13(17)18)14-7-10(15-12)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,14,16,18)
InChIKeyBQHUECBTWVGPTM-UHFFFAOYSA-N
XLogP2.36
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 66863982) is 5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is CCC(CC)n1c(=O)[nH]c2ncc(C3CC3)nc21.
What is the InChIKey of 5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is BQHUECBTWVGPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-9(4-2)17-12-11(16-13(17)18)14-7-10(15-12)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,14,16,18).
What are the key properties of 5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66863982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).