1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium

C10H11N4+ — CID 155651053

IUPAC1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium
SMILESCc1cccnc1-c1ncnc[n+]1C
InChIInChI=1S/C10H11N4/c1-8-4-3-5-12-9(8)10-13-6-11-7-14(10)2/h3-7H,1-2H3/q+1
InChIKeyKSYQWWRQLHGTTH-UHFFFAOYSA-N
MW187.23 g/mol
LogP0.67
Rot. Bonds1

About 1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium

1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium (PubChem CID 155651053) has the molecular formula C10H11N4+ and a molecular weight of 187.23 g/mol. Its IUPAC name is 1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium
PubChem CID155651053
Molecular FormulaC10H11N4+
Molecular Weight187.23 g/mol
Exact Mass187.10
IUPAC Name1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium
SMILESCc1cccnc1-c1ncnc[n+]1C
InChIInChI=1S/C10H11N4/c1-8-4-3-5-12-9(8)10-13-6-11-7-14(10)2/h3-7H,1-2H3/q+1
InChIKeyKSYQWWRQLHGTTH-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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Launch Full Analysis

Related Compounds

1-methyl-2-(2-methyl-3-pyridinyl)-1,3,5-triazin-1-ium
CID 123678019
ethane;4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyrimidine;1-methyl-6-(3-methyl-2-pyridinyl)pyridazin-1-ium;1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium;1-methyl-6-(3-methyl-2-pyridinyl)-1,2,4-triazin-1-ium;4-methyl-5-(1-methylpyrimidin-1-ium-2-yl)pyrimidine
CID 159094123
2-(2,6-dichlorophenyl)-3-methylpyridine
CID 118841939
ethane;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;1-methyl-6-(3-methyl-4-pyridinyl)pyrimidin-1-ium;1-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-1-ium;4-methyl-5-(1-methylpyrimidin-1-ium-2-yl)pyrimidine;5-methyl-4-(1-methylpyrimidin-1-ium-2-yl)pyrimidine
CID 161472079
2-(3,5-dibromophenyl)-3-methylpyridine
CID 155769988
2-(3-methyl-2-pyridinyl)benzenethiol
CID 137155222
ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine
CID 54336333
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
bis(2,3-dimethylpyridine);ethane
CID 159594018
[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62339836
2-(3,4-difluorophenyl)-3-methylpyridine
CID 142635597
2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 62192811

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium?
The IUPAC name of 1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium (CID 155651053) is 1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium.
What is the SMILES notation for 1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium?
The canonical SMILES for 1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium is Cc1cccnc1-c1ncnc[n+]1C.
What is the InChIKey of 1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium?
The InChIKey is KSYQWWRQLHGTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N4/c1-8-4-3-5-12-9(8)10-13-6-11-7-14(10)2/h3-7H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium?
1-methyl-2-(3-methyl-2-pyridinyl)-1,3,5-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-2-(3-methyl-2-pyridinyl)-1,3,5-triazin-1-ium is sourced from PubChem (CID 155651053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).