ditert-butyl pyrazine-1,4-dicarboxylate

C14H22N2O4 — CID 102520380

IUPACditert-butyl pyrazine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1C=CN(C(=O)OC(C)(C)C)C=C1
InChIInChI=1S/C14H22N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H,1-6H3
InChIKeySFAIKCHPFVTWMW-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.42
Rot. Bonds

About ditert-butyl pyrazine-1,4-dicarboxylate

ditert-butyl pyrazine-1,4-dicarboxylate (PubChem CID 102520380) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ditert-butyl pyrazine-1,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl pyrazine-1,4-dicarboxylate
PubChem CID102520380
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameditert-butyl pyrazine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1C=CN(C(=O)OC(C)(C)C)C=C1
InChIInChI=1S/C14H22N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H,1-6H3
InChIKeySFAIKCHPFVTWMW-UHFFFAOYSA-N
XLogP3.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ditert-butyl pyrazine-1,4-dicarboxylate 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 ditert-butyl pyrazine-1,4-dicarboxylate?
The IUPAC name of ditert-butyl pyrazine-1,4-dicarboxylate (CID 102520380) is ditert-butyl pyrazine-1,4-dicarboxylate.
What is the SMILES notation for ditert-butyl pyrazine-1,4-dicarboxylate?
The canonical SMILES for ditert-butyl pyrazine-1,4-dicarboxylate is CC(C)(C)OC(=O)N1C=CN(C(=O)OC(C)(C)C)C=C1.
What is the InChIKey of ditert-butyl pyrazine-1,4-dicarboxylate?
The InChIKey is SFAIKCHPFVTWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H,1-6H3.
What are the key properties of ditert-butyl pyrazine-1,4-dicarboxylate?
ditert-butyl pyrazine-1,4-dicarboxylate has a molecular weight of 282.34 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl pyrazine-1,4-dicarboxylate is sourced from PubChem (CID 102520380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).