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

C8H8ClN3O — CID 55252766

IUPAC6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCN1CC(=O)Nc2ccc(Cl)nc21
InChIInChI=1S/C8H8ClN3O/c1-12-4-7(13)10-5-2-3-6(9)11-8(5)12/h2-3H,4H2,1H3,(H,10,13)
InChIKeyXWNWOOKEOAQUGP-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.12
Rot. Bonds

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

6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 55252766) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID55252766
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCN1CC(=O)Nc2ccc(Cl)nc21
InChIInChI=1S/C8H8ClN3O/c1-12-4-7(13)10-5-2-3-6(9)11-8(5)12/h2-3H,4H2,1H3,(H,10,13)
InChIKeyXWNWOOKEOAQUGP-UHFFFAOYSA-N
XLogP1.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.12
H-Bond Donors ≤ 51
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-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 55252766) is 6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CN1CC(=O)Nc2ccc(Cl)nc21.
What is the InChIKey of 6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is XWNWOOKEOAQUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-12-4-7(13)10-5-2-3-6(9)11-8(5)12/h2-3H,4H2,1H3,(H,10,13).
What are the key properties of 6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 197.62 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 55252766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).