5-methyl-6-phenylpyrrolo[2,3-b]pyrazine

C13H11N3 — CID 6538810

IUPAC5-methyl-6-phenylpyrrolo[2,3-b]pyrazine
SMILESCn1c(-c2ccccc2)cc2nccnc21
InChIInChI=1S/C13H11N3/c1-16-12(10-5-3-2-4-6-10)9-11-13(16)15-8-7-14-11/h2-9H,1H3
InChIKeyXUQRPUGBTUIBDQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.64
Rot. Bonds1

About 5-methyl-6-phenylpyrrolo[2,3-b]pyrazine

5-methyl-6-phenylpyrrolo[2,3-b]pyrazine (PubChem CID 6538810) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-methyl-6-phenylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name5-methyl-6-phenylpyrrolo[2,3-b]pyrazine
PubChem CID6538810
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name5-methyl-6-phenylpyrrolo[2,3-b]pyrazine
SMILESCn1c(-c2ccccc2)cc2nccnc21
InChIInChI=1S/C13H11N3/c1-16-12(10-5-3-2-4-6-10)9-11-13(16)15-8-7-14-11/h2-9H,1H3
InChIKeyXUQRPUGBTUIBDQ-UHFFFAOYSA-N
XLogP2.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 5-methyl-6-phenylpyrrolo[2,3-b]pyrazine (CID 6538810) is 5-methyl-6-phenylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 5-methyl-6-phenylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 5-methyl-6-phenylpyrrolo[2,3-b]pyrazine is Cn1c(-c2ccccc2)cc2nccnc21.
What is the InChIKey of 5-methyl-6-phenylpyrrolo[2,3-b]pyrazine?
The InChIKey is XUQRPUGBTUIBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-16-12(10-5-3-2-4-6-10)9-11-13(16)15-8-7-14-11/h2-9H,1H3.
What are the key properties of 5-methyl-6-phenylpyrrolo[2,3-b]pyrazine?
5-methyl-6-phenylpyrrolo[2,3-b]pyrazine has a molecular weight of 209.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).