2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium

C11H15N2+ — CID 3975007

IUPAC2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium
SMILESCC[n+]1ccn2c(C)ccc2c1C
InChIInChI=1S/C11H15N2/c1-4-12-7-8-13-9(2)5-6-11(13)10(12)3/h5-8H,4H2,1-3H3/q+1
InChIKeyIZZCIFIEBPMAHX-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.86
Rot. Bonds1

About 2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium

2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium (PubChem CID 3975007) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium.

Molecular Properties

Compound Name2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium
PubChem CID3975007
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium
SMILESCC[n+]1ccn2c(C)ccc2c1C
InChIInChI=1S/C11H15N2/c1-4-12-7-8-13-9(2)5-6-11(13)10(12)3/h5-8H,4H2,1-3H3/q+1
InChIKeyIZZCIFIEBPMAHX-UHFFFAOYSA-N
XLogP1.86
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium?
The IUPAC name of 2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium (CID 3975007) is 2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium.
What is the SMILES notation for 2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium?
The canonical SMILES for 2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium is CC[n+]1ccn2c(C)ccc2c1C.
What is the InChIKey of 2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium?
The InChIKey is IZZCIFIEBPMAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2/c1-4-12-7-8-13-9(2)5-6-11(13)10(12)3/h5-8H,4H2,1-3H3/q+1.
What are the key properties of 2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium?
2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium has a molecular weight of 175.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium is sourced from PubChem (CID 3975007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).