1,4-ditert-butylpyrrolo[1,2-a]pyrazine

C15H22N2 — CID 171454856

IUPAC1,4-ditert-butylpyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)c1ncc(C(C)(C)C)n2cccc12
InChIInChI=1S/C15H22N2/c1-14(2,3)12-10-16-13(15(4,5)6)11-8-7-9-17(11)12/h7-10H,1-6H3
InChIKeyKXHHFYNUJNHNLJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.93
Rot. Bonds

About 1,4-ditert-butylpyrrolo[1,2-a]pyrazine

1,4-ditert-butylpyrrolo[1,2-a]pyrazine (PubChem CID 171454856) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,4-ditert-butylpyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1,4-ditert-butylpyrrolo[1,2-a]pyrazine
PubChem CID171454856
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1,4-ditert-butylpyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)c1ncc(C(C)(C)C)n2cccc12
InChIInChI=1S/C15H22N2/c1-14(2,3)12-10-16-13(15(4,5)6)11-8-7-9-17(11)12/h7-10H,1-6H3
InChIKeyKXHHFYNUJNHNLJ-UHFFFAOYSA-N
XLogP3.93
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylpyrrolo[1,2-a]pyrazine?
The IUPAC name of 1,4-ditert-butylpyrrolo[1,2-a]pyrazine (CID 171454856) is 1,4-ditert-butylpyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1,4-ditert-butylpyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1,4-ditert-butylpyrrolo[1,2-a]pyrazine is CC(C)(C)c1ncc(C(C)(C)C)n2cccc12.
What is the InChIKey of 1,4-ditert-butylpyrrolo[1,2-a]pyrazine?
The InChIKey is KXHHFYNUJNHNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-14(2,3)12-10-16-13(15(4,5)6)11-8-7-9-17(11)12/h7-10H,1-6H3.
What are the key properties of 1,4-ditert-butylpyrrolo[1,2-a]pyrazine?
1,4-ditert-butylpyrrolo[1,2-a]pyrazine has a molecular weight of 230.35 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylpyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 171454856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).