2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine

C9H11N4+ — CID 123392680

IUPAC2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine
SMILESCc1ncccc1-n1cnc[n+]1C
InChIInChI=1S/C9H11N4/c1-8-9(4-3-5-11-8)13-7-10-6-12(13)2/h3-7H,1-2H3/q+1
InChIKeyNWJFGCUNUUDBNZ-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.40
Rot. Bonds1

About 2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine

2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine (PubChem CID 123392680) has the molecular formula C9H11N4+ and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine
PubChem CID123392680
Molecular FormulaC9H11N4+
Molecular Weight175.21 g/mol
Exact Mass175.10
IUPAC Name2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine
SMILESCc1ncccc1-n1cnc[n+]1C
InChIInChI=1S/C9H11N4/c1-8-9(4-3-5-11-8)13-7-10-6-12(13)2/h3-7H,1-2H3/q+1
InChIKeyNWJFGCUNUUDBNZ-UHFFFAOYSA-N
XLogP0.40
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.40
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

4-methyl-5-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyrimidine
CID 123960520
2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine
CID 123148844
1-(2-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 131184068
3-(aziridin-1-yl)-2-methylpyridine
CID 54398386
(1R)-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]ethanamine
CID 104943346
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione
CID 79043323
1-methyl-2-(2-methyl-3-pyridinyl)-1,3,5-triazin-1-ium
CID 123678019
bis(2,3-dimethylpyridine);ethane
CID 159594018
4-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114721081
3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114706546
(2-methyl-3-pyridinyl)iminoazanium
CID 23555918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine?
The IUPAC name of 2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine (CID 123392680) is 2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine.
What is the SMILES notation for 2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine?
The canonical SMILES for 2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine is Cc1ncccc1-n1cnc[n+]1C.
What is the InChIKey of 2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine?
The InChIKey is NWJFGCUNUUDBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N4/c1-8-9(4-3-5-11-8)13-7-10-6-12(13)2/h3-7H,1-2H3/q+1.
What are the key properties of 2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine?
2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine has a molecular weight of 175.21 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyridine is sourced from PubChem (CID 123392680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).