6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one

C10H12ClN3O — CID 115473937

IUPAC6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC1(C)Nc2nc(Cl)ccc2NC1=O
InChIInChI=1S/C10H12ClN3O/c1-3-10(2)9(15)12-6-4-5-7(11)13-8(6)14-10/h4-5H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRJUVKQFPUPBHHE-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.27
Rot. Bonds1

About 6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one

6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 115473937) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID115473937
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC1(C)Nc2nc(Cl)ccc2NC1=O
InChIInChI=1S/C10H12ClN3O/c1-3-10(2)9(15)12-6-4-5-7(11)13-8(6)14-10/h4-5H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRJUVKQFPUPBHHE-UHFFFAOYSA-N
XLogP2.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one (CID 115473937) is 6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one is CCC1(C)Nc2nc(Cl)ccc2NC1=O.
What is the InChIKey of 6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is RJUVKQFPUPBHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-3-10(2)9(15)12-6-4-5-7(11)13-8(6)14-10/h4-5H,3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one?
6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 225.68 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 115473937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).