6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

C13H11N3O — CID 6538770

IUPAC6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C13H11N3O/c1-17-10-4-2-9(3-5-10)11-8-12-13(16-11)15-7-6-14-12/h2-8H,1H3,(H,15,16)
InChIKeyXQYJBGKMIPFFJS-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About 6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538770) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538770
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C13H11N3O/c1-17-10-4-2-9(3-5-10)11-8-12-13(16-11)15-7-6-14-12/h2-8H,1H3,(H,15,16)
InChIKeyXQYJBGKMIPFFJS-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538770) is 6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is COc1ccc(-c2cc3nccnc3[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is XQYJBGKMIPFFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-10-4-2-9(3-5-10)11-8-12-13(16-11)15-7-6-14-12/h2-8H,1H3,(H,15,16).
What are the key properties of 6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 225.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).