3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one

C13H18N4O — CID 143621868

IUPAC3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCC(C(C)C1CC1)n1c(=O)[nH]c2nccnc21
InChIInChI=1S/C13H18N4O/c1-3-10(8(2)9-4-5-9)17-12-11(16-13(17)18)14-6-7-15-12/h6-10H,3-5H2,1-2H3,(H,14,16,18)
InChIKeyVMDFWGUWQWZUEF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.12
Rot. Bonds4

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

3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 143621868) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID143621868
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCC(C(C)C1CC1)n1c(=O)[nH]c2nccnc21
InChIInChI=1S/C13H18N4O/c1-3-10(8(2)9-4-5-9)17-12-11(16-13(17)18)14-6-7-15-12/h6-10H,3-5H2,1-2H3,(H,14,16,18)
InChIKeyVMDFWGUWQWZUEF-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 143621868) is 3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one is CCC(C(C)C1CC1)n1c(=O)[nH]c2nccnc21.
What is the InChIKey of 3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is VMDFWGUWQWZUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-10(8(2)9-4-5-9)17-12-11(16-13(17)18)14-6-7-15-12/h6-10H,3-5H2,1-2H3,(H,14,16,18).
What are the key properties of 3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylpentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 143621868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).