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

C11H13N3O — CID 140900846

IUPAC8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCC(C)(C)c1ccnc2[nH]c(=O)cnc12
InChIInChI=1S/C11H13N3O/c1-11(2,3)7-4-5-12-10-9(7)13-6-8(15)14-10/h4-6H,1-3H3,(H,12,14,15)
InChIKeyMJKHZGRBGQPCIL-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.62
Rot. Bonds

About 8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one

8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 140900846) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID140900846
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCC(C)(C)c1ccnc2[nH]c(=O)cnc12
InChIInChI=1S/C11H13N3O/c1-11(2,3)7-4-5-12-10-9(7)13-6-8(15)14-10/h4-6H,1-3H3,(H,12,14,15)
InChIKeyMJKHZGRBGQPCIL-UHFFFAOYSA-N
XLogP1.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-tert-butyl-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 8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one (CID 140900846) is 8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one is CC(C)(C)c1ccnc2[nH]c(=O)cnc12.
What is the InChIKey of 8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is MJKHZGRBGQPCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-11(2,3)7-4-5-12-10-9(7)13-6-8(15)14-10/h4-6H,1-3H3,(H,12,14,15).
What are the key properties of 8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one?
8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 203.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 140900846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).