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

C12H18N4O — CID 24815328

IUPAC5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCc1cnc2[nH]c(=O)n(C(CC)CC)c2n1
InChIInChI=1S/C12H18N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h7,9H,4-6H2,1-3H3,(H,13,15,17)
InChIKeyJPDFKESEFQRCBE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.04
Rot. Bonds4

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

5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24815328) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24815328
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCc1cnc2[nH]c(=O)n(C(CC)CC)c2n1
InChIInChI=1S/C12H18N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h7,9H,4-6H2,1-3H3,(H,13,15,17)
InChIKeyJPDFKESEFQRCBE-UHFFFAOYSA-N
XLogP2.04
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 24815328) is 5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is CCc1cnc2[nH]c(=O)n(C(CC)CC)c2n1.
What is the InChIKey of 5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is JPDFKESEFQRCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h7,9H,4-6H2,1-3H3,(H,13,15,17).
What are the key properties of 5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24815328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).