1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium

C10H11N4+ — CID 155790388

IUPAC1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium
SMILESCc1cnccc1-c1cncn[n+]1C
InChIInChI=1S/C10H11N4/c1-8-5-11-4-3-9(8)10-6-12-7-13-14(10)2/h3-7H,1-2H3/q+1
InChIKeyWAOCQEWVACFPDT-UHFFFAOYSA-N
MW187.23 g/mol
LogP0.67
Rot. Bonds1

About 1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium

1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium (PubChem CID 155790388) has the molecular formula C10H11N4+ and a molecular weight of 187.23 g/mol. Its IUPAC name is 1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium.

Molecular Properties

Compound Name1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium
PubChem CID155790388
Molecular FormulaC10H11N4+
Molecular Weight187.23 g/mol
Exact Mass187.10
IUPAC Name1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium
SMILESCc1cnccc1-c1cncn[n+]1C
InChIInChI=1S/C10H11N4/c1-8-5-11-4-3-9(8)10-6-12-7-13-14(10)2/h3-7H,1-2H3/q+1
InChIKeyWAOCQEWVACFPDT-UHFFFAOYSA-N
XLogP0.67
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(3-methyl-4-pyridinyl)pyrazin-1-ium
CID 155790399
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
3-methyl-4-(5-methylthiophen-2-yl)pyridine
CID 163257476
2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
CID 171746802
6-methyl-8-methylidene-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 140956220
5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid
CID 66277953
3-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 119087781
6-methyl-8-methylidene-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 139436249
3-methyl-4-(1-methyltetrazol-5-yl)pyridine
CID 155651319
3-methyl-4-naphthalen-1-ylpyridine
CID 12872900
3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 131158237
2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine
CID 175089483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium?
The IUPAC name of 1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium (CID 155790388) is 1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium.
What is the SMILES notation for 1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium?
The canonical SMILES for 1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium is Cc1cnccc1-c1cncn[n+]1C.
What is the InChIKey of 1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium?
The InChIKey is WAOCQEWVACFPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N4/c1-8-5-11-4-3-9(8)10-6-12-7-13-14(10)2/h3-7H,1-2H3/q+1.
What are the key properties of 1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium?
1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium has a molecular weight of 187.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(3-methyl-4-pyridinyl)-1,2,4-triazin-1-ium is sourced from PubChem (CID 155790388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).