1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide

C9H11IN2 — CID 2826917

IUPAC1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide
SMILESCc1c2cccn2cc[n+]1C.[I-]
InChIInChI=1S/C9H11N2.HI/c1-8-9-4-3-5-11(9)7-6-10(8)2;/h3-7H,1-2H3;1H/q+1;/p-1
InChIKeyWODWSYMIKUIJID-UHFFFAOYSA-M
MW274.11 g/mol
LogP-1.92
Rot. Bonds

About 1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide

1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide (PubChem CID 2826917) has the molecular formula C9H11IN2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide.

Molecular Properties

Compound Name1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide
PubChem CID2826917
Molecular FormulaC9H11IN2
Molecular Weight274.11 g/mol
Exact Mass274.00
IUPAC Name1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide
SMILESCc1c2cccn2cc[n+]1C.[I-]
InChIInChI=1S/C9H11N2.HI/c1-8-9-4-3-5-11(9)7-6-10(8)2;/h3-7H,1-2H3;1H/q+1;/p-1
InChIKeyWODWSYMIKUIJID-UHFFFAOYSA-M
XLogP-1.92
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 5-1.92
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 1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide?
The IUPAC name of 1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide (CID 2826917) is 1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide.
What is the SMILES notation for 1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide?
The canonical SMILES for 1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide is Cc1c2cccn2cc[n+]1C.[I-].
What is the InChIKey of 1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide?
The InChIKey is WODWSYMIKUIJID-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11N2.HI/c1-8-9-4-3-5-11(9)7-6-10(8)2;/h3-7H,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide?
1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide has a molecular weight of 274.11 g/mol, XLogP of -1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolo[1,2-a]pyrazin-2-ium iodide is sourced from PubChem (CID 2826917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).