4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine

C15H27N3 — CID 20773186

IUPAC4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCN2
InChIInChI=1S/C15H27N3/c1-14(2,3)17-9-7-12-13(11-17)18(10-8-16-12)15(4,5)6/h7,9,16H,8,10-11H2,1-6H3
InChIKeyRWIHWRGPTMQDHV-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.53
Rot. Bonds

About 4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine

4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine (PubChem CID 20773186) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine
PubChem CID20773186
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCN2
InChIInChI=1S/C15H27N3/c1-14(2,3)17-9-7-12-13(11-17)18(10-8-16-12)15(4,5)6/h7,9,16H,8,10-11H2,1-6H3
InChIKeyRWIHWRGPTMQDHV-UHFFFAOYSA-N
XLogP2.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine?
The IUPAC name of 4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine (CID 20773186) is 4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine?
The canonical SMILES for 4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine is CC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCN2.
What is the InChIKey of 4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine?
The InChIKey is RWIHWRGPTMQDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-14(2,3)17-9-7-12-13(11-17)18(10-8-16-12)15(4,5)6/h7,9,16H,8,10-11H2,1-6H3.
What are the key properties of 4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine?
4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine has a molecular weight of 249.40 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-1,2,3,5-tetrahydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 20773186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).