trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium

C9H16N3+ — CID 14170090

IUPACtrimethyl-[(5-methylpyrazin-2-yl)methyl]azanium
SMILESCc1cnc(C[N+](C)(C)C)cn1
InChIInChI=1S/C9H16N3/c1-8-5-11-9(6-10-8)7-12(2,3)4/h5-6H,7H2,1-4H3/q+1
InChIKeyOCJJIPXIRGQWKZ-UHFFFAOYSA-N
MW166.25 g/mol
LogP0.99
Rot. Bonds2

About trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium

trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium (PubChem CID 14170090) has the molecular formula C9H16N3+ and a molecular weight of 166.25 g/mol. Its IUPAC name is trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(5-methylpyrazin-2-yl)methyl]azanium
PubChem CID14170090
Molecular FormulaC9H16N3+
Molecular Weight166.25 g/mol
Exact Mass166.13
IUPAC Nametrimethyl-[(5-methylpyrazin-2-yl)methyl]azanium
SMILESCc1cnc(C[N+](C)(C)C)cn1
InChIInChI=1S/C9H16N3/c1-8-5-11-9(6-10-8)7-12(2,3)4/h5-6H,7H2,1-4H3/q+1
InChIKeyOCJJIPXIRGQWKZ-UHFFFAOYSA-N
XLogP0.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium?
The IUPAC name of trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium (CID 14170090) is trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium is Cc1cnc(C[N+](C)(C)C)cn1.
What is the InChIKey of trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium?
The InChIKey is OCJJIPXIRGQWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N3/c1-8-5-11-9(6-10-8)7-12(2,3)4/h5-6H,7H2,1-4H3/q+1.
What are the key properties of trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium?
trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium has a molecular weight of 166.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium is sourced from PubChem (CID 14170090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).