2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one

C12H15N3O2 — CID 71166324

IUPAC2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2nc(C(C)(C)C)c(=O)[nH]c2n1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)9-11(16)15-10-7(13-9)5-6-8(14-10)17-4/h5-6H,1-4H3,(H,14,15,16)
InChIKeyGURLBRIHIKOFGQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.62
Rot. Bonds1

About 2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one

2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 71166324) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID71166324
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2nc(C(C)(C)C)c(=O)[nH]c2n1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)9-11(16)15-10-7(13-9)5-6-8(14-10)17-4/h5-6H,1-4H3,(H,14,15,16)
InChIKeyGURLBRIHIKOFGQ-UHFFFAOYSA-N
XLogP1.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-6-methoxy-4H-pyrido[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 2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one (CID 71166324) is 2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one is COc1ccc2nc(C(C)(C)C)c(=O)[nH]c2n1.
What is the InChIKey of 2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is GURLBRIHIKOFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)9-11(16)15-10-7(13-9)5-6-8(14-10)17-4/h5-6H,1-4H3,(H,14,15,16).
What are the key properties of 2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one?
2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 233.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methoxy-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 71166324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).