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

C13H11N3 — CID 6538780

IUPAC6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C13H11N3/c1-9-2-4-10(5-3-9)11-8-12-13(16-11)15-7-6-14-12/h2-8H,1H3,(H,15,16)
InChIKeyNUXPRKBWNZAEBF-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.93
Rot. Bonds1

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

6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538780) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538780
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C13H11N3/c1-9-2-4-10(5-3-9)11-8-12-13(16-11)15-7-6-14-12/h2-8H,1H3,(H,15,16)
InChIKeyNUXPRKBWNZAEBF-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538780) is 6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine is Cc1ccc(-c2cc3nccnc3[nH]2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is NUXPRKBWNZAEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-9-2-4-10(5-3-9)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-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 209.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).