2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid

C9H9N3O3 — CID 83848433

IUPAC2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid
SMILESO=C(O)CN1CC(=O)Nc2ncccc21
InChIInChI=1S/C9H9N3O3/c13-7-4-12(5-8(14)15)6-2-1-3-10-9(6)11-7/h1-3H,4-5H2,(H,14,15)(H,10,11,13)
InChIKeyZZPCDCPIJQYIAD-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.08
Rot. Bonds2

About 2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid

2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid (PubChem CID 83848433) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid
PubChem CID83848433
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid
SMILESO=C(O)CN1CC(=O)Nc2ncccc21
InChIInChI=1S/C9H9N3O3/c13-7-4-12(5-8(14)15)6-2-1-3-10-9(6)11-7/h1-3H,4-5H2,(H,14,15)(H,10,11,13)
InChIKeyZZPCDCPIJQYIAD-UHFFFAOYSA-N
XLogP-0.08
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid?
The IUPAC name of 2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid (CID 83848433) is 2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid is O=C(O)CN1CC(=O)Nc2ncccc21.
What is the InChIKey of 2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid?
The InChIKey is ZZPCDCPIJQYIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-7-4-12(5-8(14)15)6-2-1-3-10-9(6)11-7/h1-3H,4-5H2,(H,14,15)(H,10,11,13).
What are the key properties of 2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid?
2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid has a molecular weight of 207.19 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid is sourced from PubChem (CID 83848433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).