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

C11H16N4O2 — CID 24816197

IUPAC5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCC(CC)n1c(=O)[nH]c2ncc(OC)nc21
InChIInChI=1S/C11H16N4O2/c1-4-7(5-2)15-10-9(14-11(15)16)12-6-8(13-10)17-3/h6-7H,4-5H2,1-3H3,(H,12,14,16)
InChIKeyJCLOPOHRCQTTGK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.49
Rot. Bonds4

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

5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24816197) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24816197
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCC(CC)n1c(=O)[nH]c2ncc(OC)nc21
InChIInChI=1S/C11H16N4O2/c1-4-7(5-2)15-10-9(14-11(15)16)12-6-8(13-10)17-3/h6-7H,4-5H2,1-3H3,(H,12,14,16)
InChIKeyJCLOPOHRCQTTGK-UHFFFAOYSA-N
XLogP1.49
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 24816197) is 5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is CCC(CC)n1c(=O)[nH]c2ncc(OC)nc21.
What is the InChIKey of 5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is JCLOPOHRCQTTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-7(5-2)15-10-9(14-11(15)16)12-6-8(13-10)17-3/h6-7H,4-5H2,1-3H3,(H,12,14,16).
What are the key properties of 5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24816197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).