1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine

C11H19N3 — CID 58270271

IUPAC1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine
SMILESCC(C)(C)N1CCNC2N=CC=CC21
InChIInChI=1S/C11H19N3/c1-11(2,3)14-8-7-13-10-9(14)5-4-6-12-10/h4-6,9-10,13H,7-8H2,1-3H3
InChIKeyXTKLARWASVAHPH-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.03
Rot. Bonds

About 1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine

1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine (PubChem CID 58270271) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine
PubChem CID58270271
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine
SMILESCC(C)(C)N1CCNC2N=CC=CC21
InChIInChI=1S/C11H19N3/c1-11(2,3)14-8-7-13-10-9(14)5-4-6-12-10/h4-6,9-10,13H,7-8H2,1-3H3
InChIKeyXTKLARWASVAHPH-UHFFFAOYSA-N
XLogP1.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine?
The IUPAC name of 1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine (CID 58270271) is 1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine.
What is the SMILES notation for 1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine?
The canonical SMILES for 1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine is CC(C)(C)N1CCNC2N=CC=CC21.
What is the InChIKey of 1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine?
The InChIKey is XTKLARWASVAHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)14-8-7-13-10-9(14)5-4-6-12-10/h4-6,9-10,13H,7-8H2,1-3H3.
What are the key properties of 1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine?
1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine has a molecular weight of 193.29 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 58270271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).