1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium

C10H13N2+ — CID 778608

IUPAC1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium
SMILESCCc1c2cccn2cc[n+]1C
InChIInChI=1S/C10H13N2/c1-3-9-10-5-4-6-12(10)8-7-11(9)2/h4-8H,3H2,1-2H3/q+1
InChIKeyDEBOLEIPZTWPMB-UHFFFAOYSA-N
MW161.23 g/mol
LogP1.33
Rot. Bonds1

About 1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium

1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium (PubChem CID 778608) has the molecular formula C10H13N2+ and a molecular weight of 161.23 g/mol. Its IUPAC name is 1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium.

Molecular Properties

Compound Name1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium
PubChem CID778608
Molecular FormulaC10H13N2+
Molecular Weight161.23 g/mol
Exact Mass161.11
IUPAC Name1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium
SMILESCCc1c2cccn2cc[n+]1C
InChIInChI=1S/C10H13N2/c1-3-9-10-5-4-6-12(10)8-7-11(9)2/h4-8H,3H2,1-2H3/q+1
InChIKeyDEBOLEIPZTWPMB-UHFFFAOYSA-N
XLogP1.33
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 51.33
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 1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium?
The IUPAC name of 1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium (CID 778608) is 1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium.
What is the SMILES notation for 1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium?
The canonical SMILES for 1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium is CCc1c2cccn2cc[n+]1C.
What is the InChIKey of 1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium?
The InChIKey is DEBOLEIPZTWPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2/c1-3-9-10-5-4-6-12(10)8-7-11(9)2/h4-8H,3H2,1-2H3/q+1.
What are the key properties of 1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium?
1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium has a molecular weight of 161.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylpyrrolo[1,2-a]pyrazin-2-ium is sourced from PubChem (CID 778608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).