4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione

C12H11N5O2 — CID 135388663

IUPAC4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1cc(-c2ccc3[nH]c(=O)c(=O)n(C)c3n2)cn1
InChIInChI=1S/C12H11N5O2/c1-16-6-7(5-13-16)8-3-4-9-10(14-8)17(2)12(19)11(18)15-9/h3-6H,1-2H3,(H,15,18)
InChIKeyIVRPPGXOCNLESD-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.02
Rot. Bonds1

About 4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione

4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 135388663) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID135388663
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1cc(-c2ccc3[nH]c(=O)c(=O)n(C)c3n2)cn1
InChIInChI=1S/C12H11N5O2/c1-16-6-7(5-13-16)8-3-4-9-10(14-8)17(2)12(19)11(18)15-9/h3-6H,1-2H3,(H,15,18)
InChIKeyIVRPPGXOCNLESD-UHFFFAOYSA-N
XLogP0.02
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione (CID 135388663) is 4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione is Cn1cc(-c2ccc3[nH]c(=O)c(=O)n(C)c3n2)cn1.
What is the InChIKey of 4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is IVRPPGXOCNLESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-16-6-7(5-13-16)8-3-4-9-10(14-8)17(2)12(19)11(18)15-9/h3-6H,1-2H3,(H,15,18).
What are the key properties of 4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 257.25 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 135388663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).