1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine

C10H14N4O2S — CID 141204986

IUPAC1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine
SMILESCN1C=CC(c2nnc(S(C)(=O)=O)n2C)=CC1
InChIInChI=1S/C10H14N4O2S/c1-13-6-4-8(5-7-13)9-11-12-10(14(9)2)17(3,15)16/h4-6H,7H2,1-3H3
InChIKeyFQGFGIIXPRCLQC-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.06
Rot. Bonds2

About 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine

1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine (PubChem CID 141204986) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine
PubChem CID141204986
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine
SMILESCN1C=CC(c2nnc(S(C)(=O)=O)n2C)=CC1
InChIInChI=1S/C10H14N4O2S/c1-13-6-4-8(5-7-13)9-11-12-10(14(9)2)17(3,15)16/h4-6H,7H2,1-3H3
InChIKeyFQGFGIIXPRCLQC-UHFFFAOYSA-N
XLogP0.06
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Methanesulfonyl-4-methyl-4H-[1,2,4]triazol-3-yl)-1H-pyridin-2-one
CID 24851813
4-(5-Methanesulfonyl-4-methyl-4H-[1,2,4]triazol-3-yl)-1-methyl-1H-pyridin-2-one
CID 24851817
1-Methyl-4-(4-methyl-5-methylsulfanyl-4h-[1,2,4]triazol-3-yl)-1h-pyridin-2-one
CID 24852061
1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine
CID 141204988
4-(4-Methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine
CID 141204989
4-Methyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride
CID 108107393
5-(1-Methyl-2-oxo-4-pyridinyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 108107395
5-(1-Methyl-2-oxo-4-pyridinyl)-4-propyl-1,2,4-triazole-3-sulfonamide
CID 108107406
4-Methyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonamide
CID 108107409
4-Ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride
CID 114040019
5-(1-Methyl-2-oxo-4-pyridinyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 114040021
4-Ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonamide
CID 114040022

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine?
The IUPAC name of 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine (CID 141204986) is 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine?
The canonical SMILES for 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine is CN1C=CC(c2nnc(S(C)(=O)=O)n2C)=CC1.
What is the InChIKey of 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine?
The InChIKey is FQGFGIIXPRCLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-13-6-4-8(5-7-13)9-11-12-10(14(9)2)17(3,15)16/h4-6H,7H2,1-3H3.
What are the key properties of 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine?
1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine has a molecular weight of 254.31 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine is sourced from PubChem (CID 141204986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).