4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one

C12H15N3O4 — CID 53302190

IUPAC4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CC(OC)OC)c2n1
InChIInChI=1S/C12H15N3O4/c1-17-9-5-4-8-12(14-9)15(10(16)6-13-8)7-11(18-2)19-3/h4-6,11H,7H2,1-3H3
InChIKeyHMRJUDFHCBNLGM-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.42
Rot. Bonds5

About 4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one

4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one (PubChem CID 53302190) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one
PubChem CID53302190
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CC(OC)OC)c2n1
InChIInChI=1S/C12H15N3O4/c1-17-9-5-4-8-12(14-9)15(10(16)6-13-8)7-11(18-2)19-3/h4-6,11H,7H2,1-3H3
InChIKeyHMRJUDFHCBNLGM-UHFFFAOYSA-N
XLogP0.42
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one (CID 53302190) is 4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one is COc1ccc2ncc(=O)n(CC(OC)OC)c2n1.
What is the InChIKey of 4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one?
The InChIKey is HMRJUDFHCBNLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-17-9-5-4-8-12(14-9)15(10(16)6-13-8)7-11(18-2)19-3/h4-6,11H,7H2,1-3H3.
What are the key properties of 4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one?
4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one has a molecular weight of 265.27 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 53302190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).