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

C9H16ClN3 — CID 14170089

IUPACtrimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride
SMILESCc1cnc(C[N+](C)(C)C)cn1.[Cl-]
InChIInChI=1S/C9H16N3.ClH/c1-8-5-11-9(6-10-8)7-12(2,3)4;/h5-6H,7H2,1-4H3;1H/q+1;/p-1
InChIKeyOZJHRTRJMVRCII-UHFFFAOYSA-M
MW201.70 g/mol
LogP-2.00
Rot. Bonds2

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

trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride (PubChem CID 14170089) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride
PubChem CID14170089
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Nametrimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride
SMILESCc1cnc(C[N+](C)(C)C)cn1.[Cl-]
InChIInChI=1S/C9H16N3.ClH/c1-8-5-11-9(6-10-8)7-12(2,3)4;/h5-6H,7H2,1-4H3;1H/q+1;/p-1
InChIKeyOZJHRTRJMVRCII-UHFFFAOYSA-M
XLogP-2.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 5-2.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride 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 trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride?
The IUPAC name of trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride (CID 14170089) is trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride.
What is the SMILES notation for trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride?
The canonical SMILES for trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride is Cc1cnc(C[N+](C)(C)C)cn1.[Cl-].
What is the InChIKey of trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride?
The InChIKey is OZJHRTRJMVRCII-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16N3.ClH/c1-8-5-11-9(6-10-8)7-12(2,3)4;/h5-6H,7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride?
trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium chloride has a molecular weight of 201.70 g/mol, XLogP of -2.00, 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 chloride is sourced from PubChem (CID 14170089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).