5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine

C14H28N2 — CID 160667680

IUPAC5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine
SMILESCN1CCN(C)C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)11-12(14(4,5)6)16(8)10-9-15(11)7/h9-10H2,1-8H3
InChIKeyCMVPDSTVTFQJJW-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.17
Rot. Bonds

About 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine

5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine (PubChem CID 160667680) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine.

Molecular Properties

Compound Name5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine
PubChem CID160667680
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine
SMILESCN1CCN(C)C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)11-12(14(4,5)6)16(8)10-9-15(11)7/h9-10H2,1-8H3
InChIKeyCMVPDSTVTFQJJW-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine 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 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine?
The IUPAC name of 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine (CID 160667680) is 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine.
What is the SMILES notation for 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine?
The canonical SMILES for 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine is CN1CCN(C)C(C(C)(C)C)=C1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine?
The InChIKey is CMVPDSTVTFQJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)11-12(14(4,5)6)16(8)10-9-15(11)7/h9-10H2,1-8H3.
What are the key properties of 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine?
5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine has a molecular weight of 224.39 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine is sourced from PubChem (CID 160667680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).