4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one

C12H16N4O — CID 3070227

IUPAC4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCc1nc2cccnc2n(CCN(C)C)c1=O
InChIInChI=1S/C12H16N4O/c1-9-12(17)16(8-7-15(2)3)11-10(14-9)5-4-6-13-11/h4-6H,7-8H2,1-3H3
InChIKeyRFQYNHNYBUKQBP-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.66
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one

4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 3070227) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID3070227
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCc1nc2cccnc2n(CCN(C)C)c1=O
InChIInChI=1S/C12H16N4O/c1-9-12(17)16(8-7-15(2)3)11-10(14-9)5-4-6-13-11/h4-6H,7-8H2,1-3H3
InChIKeyRFQYNHNYBUKQBP-UHFFFAOYSA-N
XLogP0.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one (CID 3070227) is 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one is Cc1nc2cccnc2n(CCN(C)C)c1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is RFQYNHNYBUKQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-12(17)16(8-7-15(2)3)11-10(14-9)5-4-6-13-11/h4-6H,7-8H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 232.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 3070227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).