2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one

C11H15N3O — CID 79291259

IUPAC2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
SMILESCCC(C)C1Nc2ccncc2NC1=O
InChIInChI=1S/C11H15N3O/c1-3-7(2)10-11(15)14-9-6-12-5-4-8(9)13-10/h4-7,10,13H,3H2,1-2H3,(H,14,15)
InChIKeyBFKJPFZNVPCNPS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds2

About 2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one

2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one (PubChem CID 79291259) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
PubChem CID79291259
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
SMILESCCC(C)C1Nc2ccncc2NC1=O
InChIInChI=1S/C11H15N3O/c1-3-7(2)10-11(15)14-9-6-12-5-4-8(9)13-10/h4-7,10,13H,3H2,1-2H3,(H,14,15)
InChIKeyBFKJPFZNVPCNPS-UHFFFAOYSA-N
XLogP1.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one (CID 79291259) is 2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one is CCC(C)C1Nc2ccncc2NC1=O.
What is the InChIKey of 2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
The InChIKey is BFKJPFZNVPCNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-7(2)10-11(15)14-9-6-12-5-4-8(9)13-10/h4-7,10,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 79291259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).