1-methylpyrazin-1-ium

C5H7N2+ — CID 1201427

IUPAC1-methylpyrazin-1-ium
SMILESC[n+]1ccncc1
InChIInChI=1S/C5H7N2/c1-7-4-2-6-3-5-7/h2-5H,1H3/q+1
InChIKeyBSNHVVCFZSILST-UHFFFAOYSA-N
MW95.12 g/mol
LogP-0.09
Rot. Bonds

About 1-methylpyrazin-1-ium

1-methylpyrazin-1-ium (PubChem CID 1201427) has the molecular formula C5H7N2+ and a molecular weight of 95.12 g/mol. Its IUPAC name is 1-methylpyrazin-1-ium.

Molecular Properties

Compound Name1-methylpyrazin-1-ium
PubChem CID1201427
Molecular FormulaC5H7N2+
Molecular Weight95.12 g/mol
Exact Mass95.06
IUPAC Name1-methylpyrazin-1-ium
SMILESC[n+]1ccncc1
InChIInChI=1S/C5H7N2/c1-7-4-2-6-3-5-7/h2-5H,1H3/q+1
InChIKeyBSNHVVCFZSILST-UHFFFAOYSA-N
XLogP-0.09
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methylpyrazin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazin-1-ium?
The IUPAC name of 1-methylpyrazin-1-ium (CID 1201427) is 1-methylpyrazin-1-ium.
What is the SMILES notation for 1-methylpyrazin-1-ium?
The canonical SMILES for 1-methylpyrazin-1-ium is C[n+]1ccncc1.
What is the InChIKey of 1-methylpyrazin-1-ium?
The InChIKey is BSNHVVCFZSILST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2/c1-7-4-2-6-3-5-7/h2-5H,1H3/q+1.
What are the key properties of 1-methylpyrazin-1-ium?
1-methylpyrazin-1-ium has a molecular weight of 95.12 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazin-1-ium is sourced from PubChem (CID 1201427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).