6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C8H7N3O2 — CID 10845023

IUPAC6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1ccc2[nH]c(=O)c(=O)[nH]c2n1
InChIInChI=1S/C8H7N3O2/c1-4-2-3-5-6(9-4)11-8(13)7(12)10-5/h2-3H,1H3,(H,10,12)(H,9,11,13)
InChIKeyWWJQZVUJFGDORP-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.08
Rot. Bonds

About 6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 10845023) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID10845023
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1ccc2[nH]c(=O)c(=O)[nH]c2n1
InChIInChI=1S/C8H7N3O2/c1-4-2-3-5-6(9-4)11-8(13)7(12)10-5/h2-3H,1H3,(H,10,12)(H,9,11,13)
InChIKeyWWJQZVUJFGDORP-UHFFFAOYSA-N
XLogP-0.08
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 10845023) is 6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is Cc1ccc2[nH]c(=O)c(=O)[nH]c2n1.
What is the InChIKey of 6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is WWJQZVUJFGDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-4-2-3-5-6(9-4)11-8(13)7(12)10-5/h2-3H,1H3,(H,10,12)(H,9,11,13).
What are the key properties of 6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 177.16 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 10845023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).