2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide

C14H13IN2 — CID 2826919

IUPAC2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide
SMILESC[n+]1ccn2cccc2c1-c1ccccc1.[I-]
InChIInChI=1S/C14H13N2.HI/c1-15-10-11-16-9-5-8-13(16)14(15)12-6-3-2-4-7-12;/h2-11H,1H3;1H/q+1;/p-1
InChIKeyUQZQTJSXQXWAGU-UHFFFAOYSA-M
MW336.18 g/mol
LogP-0.57
Rot. Bonds1

About 2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide

2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide (PubChem CID 2826919) has the molecular formula C14H13IN2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide.

Molecular Properties

Compound Name2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide
PubChem CID2826919
Molecular FormulaC14H13IN2
Molecular Weight336.18 g/mol
Exact Mass336.01
IUPAC Name2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide
SMILESC[n+]1ccn2cccc2c1-c1ccccc1.[I-]
InChIInChI=1S/C14H13N2.HI/c1-15-10-11-16-9-5-8-13(16)14(15)12-6-3-2-4-7-12;/h2-11H,1H3;1H/q+1;/p-1
InChIKeyUQZQTJSXQXWAGU-UHFFFAOYSA-M
XLogP-0.57
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide?
The IUPAC name of 2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide (CID 2826919) is 2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide.
What is the SMILES notation for 2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide?
The canonical SMILES for 2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide is C[n+]1ccn2cccc2c1-c1ccccc1.[I-].
What is the InChIKey of 2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide?
The InChIKey is UQZQTJSXQXWAGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13N2.HI/c1-15-10-11-16-9-5-8-13(16)14(15)12-6-3-2-4-7-12;/h2-11H,1H3;1H/q+1;/p-1.
What are the key properties of 2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide?
2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide has a molecular weight of 336.18 g/mol, XLogP of -0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylpyrrolo[1,2-a]pyrazin-2-ium iodide is sourced from PubChem (CID 2826919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).